N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;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-4-methyl-2-prop-2-enoxypent-4-enamide;N-tert-butyl-3-methyl-2-propoxybutanamide

C81H150N6O12 — CID 158233343

IUPACN-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;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-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(CC1CCC1)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
InChIInChI=1S/C15H27NO2.C14H25NO2.C14H27NO2.2C13H23NO2.C12H25NO2/c1-5-10-18-13(11-12-8-6-7-9-12)14(17)16-15(2,3)4;1-5-9-17-12(10-11-7-6-8-11)13(16)15-14(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;1-7-8-16-11(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);5,11-12H,1,6-10H2,2-4H3,(H,15,16);8,11H,1,9-10H2,2-7H3,(H,15,16);5,10-11H,1,6-9H2,2-4H3,(H,14,15);7,11H,1-2,8-9H2,3-6H3,(H,14,15);9-10H,7-8H2,1-6H3,(H,13,14)
InChIKeyGEQOTCMMVHLXIY-UHFFFAOYSA-N
MW1400.12 g/mol
LogP15.69
Rot. Bonds34

About N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;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-4-methyl-2-prop-2-enoxypent-4-enamide;N-tert-butyl-3-methyl-2-propoxybutanamide

N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;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-4-methyl-2-prop-2-enoxypent-4-enamide;N-tert-butyl-3-methyl-2-propoxybutanamide (PubChem CID 158233343) has the molecular formula C81H150N6O12 and a molecular weight of 1400.12 g/mol. Its IUPAC name is N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;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-4-methyl-2-prop-2-enoxypent-4-enamide;N-tert-butyl-3-methyl-2-propoxybutanamide.

Molecular Properties

Compound NameN-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;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-4-methyl-2-prop-2-enoxypent-4-enamide;N-tert-butyl-3-methyl-2-propoxybutanamide
PubChem CID158233343
Molecular FormulaC81H150N6O12
Molecular Weight1400.12 g/mol
Exact Mass1399.13
IUPAC NameN-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;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-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(CC1CCC1)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
InChIInChI=1S/C15H27NO2.C14H25NO2.C14H27NO2.2C13H23NO2.C12H25NO2/c1-5-10-18-13(11-12-8-6-7-9-12)14(17)16-15(2,3)4;1-5-9-17-12(10-11-7-6-8-11)13(16)15-14(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;1-7-8-16-11(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);5,11-12H,1,6-10H2,2-4H3,(H,15,16);8,11H,1,9-10H2,2-7H3,(H,15,16);5,10-11H,1,6-9H2,2-4H3,(H,14,15);7,11H,1-2,8-9H2,3-6H3,(H,14,15);9-10H,7-8H2,1-6H3,(H,13,14)
InChIKeyGEQOTCMMVHLXIY-UHFFFAOYSA-N
XLogP15.69
TPSA229.98 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds34
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001400.12
LogP ≤ 515.69
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-cyclobutyl-2-prop-2-enoxypropanamide;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-4-methyl-2-prop-2-enoxypent-4-enamide;N-tert-butyl-3-methyl-2-propoxybutanamide with MolForge

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Related Compounds

CID 157391652
CID 157391652
CID 157448121
CID 157448121
CID 158025603
CID 158025603
CID 158236549
CID 158236549
CID 158317698
CID 158317698
CID 158434126
CID 158434126
CID 158585010
CID 158585010
CID 158889966
CID 158889966
CID 159183921
CID 159183921
CID 159265248
CID 159265248
CID 159274901
CID 159274901
CID 159362925
CID 159362925

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;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-4-methyl-2-prop-2-enoxypent-4-enamide;N-tert-butyl-3-methyl-2-propoxybutanamide?
The IUPAC name of N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;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-4-methyl-2-prop-2-enoxypent-4-enamide;N-tert-butyl-3-methyl-2-propoxybutanamide (CID 158233343) is N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;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-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-cyclobutyl-2-prop-2-enoxypropanamide;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-4-methyl-2-prop-2-enoxypent-4-enamide;N-tert-butyl-3-methyl-2-propoxybutanamide?
The canonical SMILES for N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;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-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(CC1CCC1)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.
What is the InChIKey of N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;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-4-methyl-2-prop-2-enoxypent-4-enamide;N-tert-butyl-3-methyl-2-propoxybutanamide?
The InChIKey is GEQOTCMMVHLXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2.C14H25NO2.C14H27NO2.2C13H23NO2.C12H25NO2/c1-5-10-18-13(11-12-8-6-7-9-12)14(17)16-15(2,3)4;1-5-9-17-12(10-11-7-6-8-11)13(16)15-14(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;1-7-8-16-11(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);5,11-12H,1,6-10H2,2-4H3,(H,15,16);8,11H,1,9-10H2,2-7H3,(H,15,16);5,10-11H,1,6-9H2,2-4H3,(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-cyclobutyl-2-prop-2-enoxypropanamide;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-4-methyl-2-prop-2-enoxypent-4-enamide;N-tert-butyl-3-methyl-2-propoxybutanamide?
N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;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-4-methyl-2-prop-2-enoxypent-4-enamide;N-tert-butyl-3-methyl-2-propoxybutanamide has a molecular weight of 1400.12 g/mol, XLogP of 15.69, 34 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;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-4-methyl-2-prop-2-enoxypent-4-enamide;N-tert-butyl-3-methyl-2-propoxybutanamide is sourced from PubChem (CID 158233343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).