N-tert-butyl-3-cyclopentyl-2-ethoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide;N-tert-butyl-3-methyl-2-prop-2-enoxybutanamide

C92H177N7O14 — CID 159415254

IUPACN-tert-butyl-3-cyclopentyl-2-ethoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide;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.C=CCOC(CC(C)(C)C)C(=O)NC(C)(C)C.C=CCOC(CC1CC1C)C(=O)NC(C)(C)C.CCOC(CC(C)(C)C)C(=O)NC(C)(C)C.CCOC(CC1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H25NO2.2C14H27NO2.C13H27NO2.C13H25NO2.2C12H23NO2/c1-6-7-17-12(9-11-8-10(11)2)13(16)15-14(3,4)5;1-5-17-12(10-11-8-6-7-9-11)13(16)15-14(2,3)4;1-8-9-17-11(10-13(2,3)4)12(16)15-14(5,6)7;1-8-16-10(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;1-7-15-10(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/h6,10-12H,1,7-9H2,2-5H3,(H,15,16);11-12H,5-10H2,1-4H3,(H,15,16);8,11H,1,9-10H2,2-7H3,(H,15,16);10H,8-9H2,1-7H3,(H,14,15);8,10H,1,9H2,2-7H3,(H,14,15);10H,2,7-8H2,1,3-6H3,(H,13,14);7,9-10H,1,8H2,2-6H3,(H,13,14)
InChIKeyLPBULWRRCUIFLD-UHFFFAOYSA-N
MW1605.46 g/mol
LogP17.97
Rot. Bonds34

About N-tert-butyl-3-cyclopentyl-2-ethoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide;N-tert-butyl-3-methyl-2-prop-2-enoxybutanamide

N-tert-butyl-3-cyclopentyl-2-ethoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide;N-tert-butyl-3-methyl-2-prop-2-enoxybutanamide (PubChem CID 159415254) has the molecular formula C92H177N7O14 and a molecular weight of 1605.46 g/mol. Its IUPAC name is N-tert-butyl-3-cyclopentyl-2-ethoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide;N-tert-butyl-3-methyl-2-prop-2-enoxybutanamide.

Molecular Properties

Compound NameN-tert-butyl-3-cyclopentyl-2-ethoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide;N-tert-butyl-3-methyl-2-prop-2-enoxybutanamide
PubChem CID159415254
Molecular FormulaC92H177N7O14
Molecular Weight1605.46 g/mol
Exact Mass1604.34
IUPAC NameN-tert-butyl-3-cyclopentyl-2-ethoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide;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.C=CCOC(CC(C)(C)C)C(=O)NC(C)(C)C.C=CCOC(CC1CC1C)C(=O)NC(C)(C)C.CCOC(CC(C)(C)C)C(=O)NC(C)(C)C.CCOC(CC1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H25NO2.2C14H27NO2.C13H27NO2.C13H25NO2.2C12H23NO2/c1-6-7-17-12(9-11-8-10(11)2)13(16)15-14(3,4)5;1-5-17-12(10-11-8-6-7-9-11)13(16)15-14(2,3)4;1-8-9-17-11(10-13(2,3)4)12(16)15-14(5,6)7;1-8-16-10(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;1-7-15-10(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/h6,10-12H,1,7-9H2,2-5H3,(H,15,16);11-12H,5-10H2,1-4H3,(H,15,16);8,11H,1,9-10H2,2-7H3,(H,15,16);10H,8-9H2,1-7H3,(H,14,15);8,10H,1,9H2,2-7H3,(H,14,15);10H,2,7-8H2,1,3-6H3,(H,13,14);7,9-10H,1,8H2,2-6H3,(H,13,14)
InChIKeyLPBULWRRCUIFLD-UHFFFAOYSA-N
XLogP17.97
TPSA268.31 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds34
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001605.46
LogP ≤ 517.97
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze N-tert-butyl-3-cyclopentyl-2-ethoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide;N-tert-butyl-3-methyl-2-prop-2-enoxybutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-cyclopentyl-2-ethoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide;N-tert-butyl-3-methyl-2-prop-2-enoxybutanamide?
The IUPAC name of N-tert-butyl-3-cyclopentyl-2-ethoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide;N-tert-butyl-3-methyl-2-prop-2-enoxybutanamide (CID 159415254) is N-tert-butyl-3-cyclopentyl-2-ethoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide;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-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide;N-tert-butyl-3-methyl-2-prop-2-enoxybutanamide?
The canonical SMILES for N-tert-butyl-3-cyclopentyl-2-ethoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide;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.C=CCOC(CC(C)(C)C)C(=O)NC(C)(C)C.C=CCOC(CC1CC1C)C(=O)NC(C)(C)C.CCOC(CC(C)(C)C)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-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide;N-tert-butyl-3-methyl-2-prop-2-enoxybutanamide?
The InChIKey is LPBULWRRCUIFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2.2C14H27NO2.C13H27NO2.C13H25NO2.2C12H23NO2/c1-6-7-17-12(9-11-8-10(11)2)13(16)15-14(3,4)5;1-5-17-12(10-11-8-6-7-9-11)13(16)15-14(2,3)4;1-8-9-17-11(10-13(2,3)4)12(16)15-14(5,6)7;1-8-16-10(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;1-7-15-10(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/h6,10-12H,1,7-9H2,2-5H3,(H,15,16);11-12H,5-10H2,1-4H3,(H,15,16);8,11H,1,9-10H2,2-7H3,(H,15,16);10H,8-9H2,1-7H3,(H,14,15);8,10H,1,9H2,2-7H3,(H,14,15);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-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide;N-tert-butyl-3-methyl-2-prop-2-enoxybutanamide?
N-tert-butyl-3-cyclopentyl-2-ethoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide;N-tert-butyl-3-methyl-2-prop-2-enoxybutanamide has a molecular weight of 1605.46 g/mol, XLogP of 17.97, 34 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-cyclopentyl-2-ethoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide;N-tert-butyl-3-methyl-2-prop-2-enoxybutanamide is sourced from PubChem (CID 159415254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).