N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3,3-dimethyl-2-propoxybutanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide;N-tert-butyl-3-methyl-2-propoxybutanamide

C80H152N6O12 — CID 159183921

IUPACN-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3,3-dimethyl-2-propoxybutanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide;N-tert-butyl-3-methyl-2-propoxybutanamide
SMILESC=CCOC(CC(=C)C)C(=O)NC(C)(C)C.C=CCOC(CC(C)(C)C)C(=O)NC(C)(C)C.C=CCOC(CC1CC1)C(=O)NC(C)(C)C.C=CCOC(CC1CCCC1)C(=O)NC(C)(C)C.CCCOC(C(=O)NC(C)(C)C)C(C)(C)C.CCCOC(C(=O)NC(C)(C)C)C(C)C
InChIInChI=1S/C15H27NO2.C14H27NO2.C13H23NO2.C13H27NO2.C13H23NO2.C12H25NO2/c1-5-10-18-13(11-12-8-6-7-9-12)14(17)16-15(2,3)4;1-8-9-17-11(10-13(2,3)4)12(16)15-14(5,6)7;1-5-8-16-11(9-10-6-7-10)12(15)14-13(2,3)4;1-8-9-16-10(12(2,3)4)11(15)14-13(5,6)7;1-7-8-16-11(9-10(2)3)12(15)14-13(4,5)6;1-7-8-15-10(9(2)3)11(14)13-12(4,5)6/h5,12-13H,1,6-11H2,2-4H3,(H,16,17);8,11H,1,9-10H2,2-7H3,(H,15,16);5,10-11H,1,6-9H2,2-4H3,(H,14,15);10H,8-9H2,1-7H3,(H,14,15);7,11H,1-2,8-9H2,3-6H3,(H,14,15);9-10H,7-8H2,1-6H3,(H,13,14)
InChIKeyKNFYDQFIRFCGQZ-UHFFFAOYSA-N
MW1390.13 g/mol
LogP15.77
Rot. Bonds32

About N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3,3-dimethyl-2-propoxybutanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide;N-tert-butyl-3-methyl-2-propoxybutanamide

N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3,3-dimethyl-2-propoxybutanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide;N-tert-butyl-3-methyl-2-propoxybutanamide (PubChem CID 159183921) has the molecular formula C80H152N6O12 and a molecular weight of 1390.13 g/mol. Its IUPAC name is N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3,3-dimethyl-2-propoxybutanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide;N-tert-butyl-3-methyl-2-propoxybutanamide.

Molecular Properties

Compound NameN-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3,3-dimethyl-2-propoxybutanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide;N-tert-butyl-3-methyl-2-propoxybutanamide
PubChem CID159183921
Molecular FormulaC80H152N6O12
Molecular Weight1390.13 g/mol
Exact Mass1389.15
IUPAC NameN-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3,3-dimethyl-2-propoxybutanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide;N-tert-butyl-3-methyl-2-propoxybutanamide
SMILESC=CCOC(CC(=C)C)C(=O)NC(C)(C)C.C=CCOC(CC(C)(C)C)C(=O)NC(C)(C)C.C=CCOC(CC1CC1)C(=O)NC(C)(C)C.C=CCOC(CC1CCCC1)C(=O)NC(C)(C)C.CCCOC(C(=O)NC(C)(C)C)C(C)(C)C.CCCOC(C(=O)NC(C)(C)C)C(C)C
InChIInChI=1S/C15H27NO2.C14H27NO2.C13H23NO2.C13H27NO2.C13H23NO2.C12H25NO2/c1-5-10-18-13(11-12-8-6-7-9-12)14(17)16-15(2,3)4;1-8-9-17-11(10-13(2,3)4)12(16)15-14(5,6)7;1-5-8-16-11(9-10-6-7-10)12(15)14-13(2,3)4;1-8-9-16-10(12(2,3)4)11(15)14-13(5,6)7;1-7-8-16-11(9-10(2)3)12(15)14-13(4,5)6;1-7-8-15-10(9(2)3)11(14)13-12(4,5)6/h5,12-13H,1,6-11H2,2-4H3,(H,16,17);8,11H,1,9-10H2,2-7H3,(H,15,16);5,10-11H,1,6-9H2,2-4H3,(H,14,15);10H,8-9H2,1-7H3,(H,14,15);7,11H,1-2,8-9H2,3-6H3,(H,14,15);9-10H,7-8H2,1-6H3,(H,13,14)
InChIKeyKNFYDQFIRFCGQZ-UHFFFAOYSA-N
XLogP15.77
TPSA229.98 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds32
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001390.13
LogP ≤ 515.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3,3-dimethyl-2-propoxybutanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide;N-tert-butyl-3-methyl-2-propoxybutanamide with MolForge

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Related Compounds

N-tert-butyl-3-cyclopentyl-2-propoxypropanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide;N-tert-butyl-4-methyl-2-propoxypent-4-enamide
CID 159265248
N-tert-butyl-3-cyclobutyl-2-propoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;bis(N-tert-butyl-4,4-dimethyl-2-propoxypentanamide);N-tert-butyl-3-(2-methylcyclopropyl)-2-propoxypropanamide;N-tert-butyl-3-methyl-2-propoxybutanamide
CID 158585010
N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3-methyl-2-prop-2-enoxybutanamide
CID 161380208
N-tert-butyl-2-(cyclopentylmethoxy)-4,4-dimethylpentanamide
CID 20790215
N-tert-butyl-3-cyclopentyl-2-(cyclopentylmethoxy)propanamide
CID 20790258
3-cyclobutyl-N-propan-2-yl-2-prop-2-enoxypropanamide
CID 21366276
N-tert-butyl-2-(cyclopentylmethyl)hex-5-enamide;N-tert-butyl-2-(2,2-dimethylpropyl)hexanamide;N-tert-butyl-2-(2,2-dimethylpropyl)hex-5-enamide;N-tert-butyl-2-(2-methylprop-2-enyl)hex-5-enamide;N-tert-butyl-2-propan-2-ylhexanamide;N,2-ditert-butylhexanamide
CID 161467995
3-cyclopropyl-N-ethyl-2-prop-2-enoxypropanamide
CID 89093021
N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpent-4-enamide
CID 158568071
1-cyclopentyl-5-methyl-2-prop-2-enoxyhexan-3-one
CID 59143577
N-ethyl-4-methyl-2-prop-2-enoxypent-4-enamide
CID 89093020
N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide
CID 20790222

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3,3-dimethyl-2-propoxybutanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide;N-tert-butyl-3-methyl-2-propoxybutanamide?
The IUPAC name of N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3,3-dimethyl-2-propoxybutanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide;N-tert-butyl-3-methyl-2-propoxybutanamide (CID 159183921) is N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3,3-dimethyl-2-propoxybutanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide;N-tert-butyl-3-methyl-2-propoxybutanamide.
What is the SMILES notation for N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3,3-dimethyl-2-propoxybutanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide;N-tert-butyl-3-methyl-2-propoxybutanamide?
The canonical SMILES for N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3,3-dimethyl-2-propoxybutanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide;N-tert-butyl-3-methyl-2-propoxybutanamide is C=CCOC(CC(=C)C)C(=O)NC(C)(C)C.C=CCOC(CC(C)(C)C)C(=O)NC(C)(C)C.C=CCOC(CC1CC1)C(=O)NC(C)(C)C.C=CCOC(CC1CCCC1)C(=O)NC(C)(C)C.CCCOC(C(=O)NC(C)(C)C)C(C)(C)C.CCCOC(C(=O)NC(C)(C)C)C(C)C.
What is the InChIKey of N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3,3-dimethyl-2-propoxybutanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide;N-tert-butyl-3-methyl-2-propoxybutanamide?
The InChIKey is KNFYDQFIRFCGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2.C14H27NO2.C13H23NO2.C13H27NO2.C13H23NO2.C12H25NO2/c1-5-10-18-13(11-12-8-6-7-9-12)14(17)16-15(2,3)4;1-8-9-17-11(10-13(2,3)4)12(16)15-14(5,6)7;1-5-8-16-11(9-10-6-7-10)12(15)14-13(2,3)4;1-8-9-16-10(12(2,3)4)11(15)14-13(5,6)7;1-7-8-16-11(9-10(2)3)12(15)14-13(4,5)6;1-7-8-15-10(9(2)3)11(14)13-12(4,5)6/h5,12-13H,1,6-11H2,2-4H3,(H,16,17);8,11H,1,9-10H2,2-7H3,(H,15,16);5,10-11H,1,6-9H2,2-4H3,(H,14,15);10H,8-9H2,1-7H3,(H,14,15);7,11H,1-2,8-9H2,3-6H3,(H,14,15);9-10H,7-8H2,1-6H3,(H,13,14).
What are the key properties of N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3,3-dimethyl-2-propoxybutanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide;N-tert-butyl-3-methyl-2-propoxybutanamide?
N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3,3-dimethyl-2-propoxybutanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide;N-tert-butyl-3-methyl-2-propoxybutanamide has a molecular weight of 1390.13 g/mol, XLogP of 15.77, 32 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3,3-dimethyl-2-propoxybutanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide;N-tert-butyl-3-methyl-2-propoxybutanamide is sourced from PubChem (CID 159183921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).