N-tert-butyl-3-cyclopentyl-2-ethoxypropanamide;N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide;N-tert-butyl-3-methyl-2-prop-2-enoxybutanamide

C76H148N6O12 — CID 159984425

IUPACN-tert-butyl-3-cyclopentyl-2-ethoxypropanamide;N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide;N-tert-butyl-3-methyl-2-prop-2-enoxybutanamide
SMILESC=C(C)CC(OCC)C(=O)NC(C)(C)C.C=CCOC(C(=O)NC(C)(C)C)C(C)(C)C.C=CCOC(C(=O)NC(C)(C)C)C(C)C.CCOC(CC(C)(C)C)C(=O)NC(C)(C)C.CCOC(CC1CC1)C(=O)NC(C)(C)C.CCOC(CC1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H27NO2.C13H27NO2.C13H25NO2.3C12H23NO2/c1-5-17-12(10-11-8-6-7-9-11)13(16)15-14(2,3)4;1-8-16-10(9-12(2,3)4)11(15)14-13(5,6)7;1-8-9-16-10(12(2,3)4)11(15)14-13(5,6)7;1-5-15-10(8-9-6-7-9)11(14)13-12(2,3)4;1-7-15-10(8-9(2)3)11(14)13-12(4,5)6;1-7-8-15-10(9(2)3)11(14)13-12(4,5)6/h11-12H,5-10H2,1-4H3,(H,15,16);10H,8-9H2,1-7H3,(H,14,15);8,10H,1,9H2,2-7H3,(H,14,15);9-10H,5-8H2,1-4H3,(H,13,14);10H,2,7-8H2,1,3-6H3,(H,13,14);7,9-10H,1,8H2,2-6H3,(H,13,14)
InChIKeyOGDODXPBTGIVHM-UHFFFAOYSA-N
MW1338.05 g/mol
LogP14.65
Rot. Bonds28

About N-tert-butyl-3-cyclopentyl-2-ethoxypropanamide;N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide;N-tert-butyl-3-methyl-2-prop-2-enoxybutanamide

N-tert-butyl-3-cyclopentyl-2-ethoxypropanamide;N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide;N-tert-butyl-3-methyl-2-prop-2-enoxybutanamide (PubChem CID 159984425) has the molecular formula C76H148N6O12 and a molecular weight of 1338.05 g/mol. Its IUPAC name is N-tert-butyl-3-cyclopentyl-2-ethoxypropanamide;N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide;N-tert-butyl-3-methyl-2-prop-2-enoxybutanamide.

Molecular Properties

Compound NameN-tert-butyl-3-cyclopentyl-2-ethoxypropanamide;N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide;N-tert-butyl-3-methyl-2-prop-2-enoxybutanamide
PubChem CID159984425
Molecular FormulaC76H148N6O12
Molecular Weight1338.05 g/mol
Exact Mass1337.12
IUPAC NameN-tert-butyl-3-cyclopentyl-2-ethoxypropanamide;N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide;N-tert-butyl-3-methyl-2-prop-2-enoxybutanamide
SMILESC=C(C)CC(OCC)C(=O)NC(C)(C)C.C=CCOC(C(=O)NC(C)(C)C)C(C)(C)C.C=CCOC(C(=O)NC(C)(C)C)C(C)C.CCOC(CC(C)(C)C)C(=O)NC(C)(C)C.CCOC(CC1CC1)C(=O)NC(C)(C)C.CCOC(CC1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H27NO2.C13H27NO2.C13H25NO2.3C12H23NO2/c1-5-17-12(10-11-8-6-7-9-11)13(16)15-14(2,3)4;1-8-16-10(9-12(2,3)4)11(15)14-13(5,6)7;1-8-9-16-10(12(2,3)4)11(15)14-13(5,6)7;1-5-15-10(8-9-6-7-9)11(14)13-12(2,3)4;1-7-15-10(8-9(2)3)11(14)13-12(4,5)6;1-7-8-15-10(9(2)3)11(14)13-12(4,5)6/h11-12H,5-10H2,1-4H3,(H,15,16);10H,8-9H2,1-7H3,(H,14,15);8,10H,1,9H2,2-7H3,(H,14,15);9-10H,5-8H2,1-4H3,(H,13,14);10H,2,7-8H2,1,3-6H3,(H,13,14);7,9-10H,1,8H2,2-6H3,(H,13,14)
InChIKeyOGDODXPBTGIVHM-UHFFFAOYSA-N
XLogP14.65
TPSA229.98 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001338.05
LogP ≤ 514.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-cyclopentyl-2-ethoxypropanamide;N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide;N-tert-butyl-3-methyl-2-prop-2-enoxybutanamide?
The IUPAC name of N-tert-butyl-3-cyclopentyl-2-ethoxypropanamide;N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide;N-tert-butyl-3-methyl-2-prop-2-enoxybutanamide (CID 159984425) is N-tert-butyl-3-cyclopentyl-2-ethoxypropanamide;N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide;N-tert-butyl-3-methyl-2-prop-2-enoxybutanamide.
What is the SMILES notation for N-tert-butyl-3-cyclopentyl-2-ethoxypropanamide;N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide;N-tert-butyl-3-methyl-2-prop-2-enoxybutanamide?
The canonical SMILES for N-tert-butyl-3-cyclopentyl-2-ethoxypropanamide;N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide;N-tert-butyl-3-methyl-2-prop-2-enoxybutanamide is C=C(C)CC(OCC)C(=O)NC(C)(C)C.C=CCOC(C(=O)NC(C)(C)C)C(C)(C)C.C=CCOC(C(=O)NC(C)(C)C)C(C)C.CCOC(CC(C)(C)C)C(=O)NC(C)(C)C.CCOC(CC1CC1)C(=O)NC(C)(C)C.CCOC(CC1CCCC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-cyclopentyl-2-ethoxypropanamide;N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide;N-tert-butyl-3-methyl-2-prop-2-enoxybutanamide?
The InChIKey is OGDODXPBTGIVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2.C13H27NO2.C13H25NO2.3C12H23NO2/c1-5-17-12(10-11-8-6-7-9-11)13(16)15-14(2,3)4;1-8-16-10(9-12(2,3)4)11(15)14-13(5,6)7;1-8-9-16-10(12(2,3)4)11(15)14-13(5,6)7;1-5-15-10(8-9-6-7-9)11(14)13-12(2,3)4;1-7-15-10(8-9(2)3)11(14)13-12(4,5)6;1-7-8-15-10(9(2)3)11(14)13-12(4,5)6/h11-12H,5-10H2,1-4H3,(H,15,16);10H,8-9H2,1-7H3,(H,14,15);8,10H,1,9H2,2-7H3,(H,14,15);9-10H,5-8H2,1-4H3,(H,13,14);10H,2,7-8H2,1,3-6H3,(H,13,14);7,9-10H,1,8H2,2-6H3,(H,13,14).
What are the key properties of N-tert-butyl-3-cyclopentyl-2-ethoxypropanamide;N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide;N-tert-butyl-3-methyl-2-prop-2-enoxybutanamide?
N-tert-butyl-3-cyclopentyl-2-ethoxypropanamide;N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide;N-tert-butyl-3-methyl-2-prop-2-enoxybutanamide has a molecular weight of 1338.05 g/mol, XLogP of 14.65, 28 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-ethoxypropanamide;N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide;N-tert-butyl-3-methyl-2-prop-2-enoxybutanamide is sourced from PubChem (CID 159984425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).