N-tert-butyl-3-cyclobutyl-2-ethoxypropanamide;N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide;N-tert-butyl-2-ethoxy-3,3-dimethylbutanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-3-methylbutanamide;N-tert-butyl-2-ethoxy-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide

C86H171N7O14 — CID 159615168

IUPACN-tert-butyl-3-cyclobutyl-2-ethoxypropanamide;N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide;N-tert-butyl-2-ethoxy-3,3-dimethylbutanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-3-methylbutanamide;N-tert-butyl-2-ethoxy-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide
SMILESC=C(C)CC(OCC)C(=O)NC(C)(C)C.CCOC(C(=O)NC(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(CC1CC1C)C(=O)NC(C)(C)C.CCOC(CC1CCC1)C(=O)NC(C)(C)C
InChIInChI=1S/2C13H25NO2.C13H27NO2.C12H23NO2.C12H25NO2.C12H23NO2.C11H23NO2/c1-6-16-11(8-10-7-9(10)2)12(15)14-13(3,4)5;1-5-16-11(9-10-7-6-8-10)12(15)14-13(2,3)4;1-8-16-10(9-12(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;1-8-15-9(11(2,3)4)10(14)13-12(5,6)7;1-7-15-10(8-9(2)3)11(14)13-12(4,5)6;1-7-14-9(8(2)3)10(13)12-11(4,5)6/h9-11H,6-8H2,1-5H3,(H,14,15);10-11H,5-9H2,1-4H3,(H,14,15);10H,8-9H2,1-7H3,(H,14,15);9-10H,5-8H2,1-4H3,(H,13,14);9H,8H2,1-7H3,(H,13,14);10H,2,7-8H2,1,3-6H3,(H,13,14);8-9H,7H2,1-6H3,(H,12,13)
InChIKeyMNERADWZRVRGLQ-UHFFFAOYSA-N
MW1527.35 g/mol
LogP16.28
Rot. Bonds31

About N-tert-butyl-3-cyclobutyl-2-ethoxypropanamide;N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide;N-tert-butyl-2-ethoxy-3,3-dimethylbutanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-3-methylbutanamide;N-tert-butyl-2-ethoxy-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide

N-tert-butyl-3-cyclobutyl-2-ethoxypropanamide;N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide;N-tert-butyl-2-ethoxy-3,3-dimethylbutanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-3-methylbutanamide;N-tert-butyl-2-ethoxy-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide (PubChem CID 159615168) has the molecular formula C86H171N7O14 and a molecular weight of 1527.35 g/mol. Its IUPAC name is N-tert-butyl-3-cyclobutyl-2-ethoxypropanamide;N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide;N-tert-butyl-2-ethoxy-3,3-dimethylbutanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-3-methylbutanamide;N-tert-butyl-2-ethoxy-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide.

Molecular Properties

Compound NameN-tert-butyl-3-cyclobutyl-2-ethoxypropanamide;N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide;N-tert-butyl-2-ethoxy-3,3-dimethylbutanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-3-methylbutanamide;N-tert-butyl-2-ethoxy-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide
PubChem CID159615168
Molecular FormulaC86H171N7O14
Molecular Weight1527.35 g/mol
Exact Mass1526.29
IUPAC NameN-tert-butyl-3-cyclobutyl-2-ethoxypropanamide;N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide;N-tert-butyl-2-ethoxy-3,3-dimethylbutanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-3-methylbutanamide;N-tert-butyl-2-ethoxy-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide
SMILESC=C(C)CC(OCC)C(=O)NC(C)(C)C.CCOC(C(=O)NC(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(CC1CC1C)C(=O)NC(C)(C)C.CCOC(CC1CCC1)C(=O)NC(C)(C)C
InChIInChI=1S/2C13H25NO2.C13H27NO2.C12H23NO2.C12H25NO2.C12H23NO2.C11H23NO2/c1-6-16-11(8-10-7-9(10)2)12(15)14-13(3,4)5;1-5-16-11(9-10-7-6-8-10)12(15)14-13(2,3)4;1-8-16-10(9-12(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;1-8-15-9(11(2,3)4)10(14)13-12(5,6)7;1-7-15-10(8-9(2)3)11(14)13-12(4,5)6;1-7-14-9(8(2)3)10(13)12-11(4,5)6/h9-11H,6-8H2,1-5H3,(H,14,15);10-11H,5-9H2,1-4H3,(H,14,15);10H,8-9H2,1-7H3,(H,14,15);9-10H,5-8H2,1-4H3,(H,13,14);9H,8H2,1-7H3,(H,13,14);10H,2,7-8H2,1,3-6H3,(H,13,14);8-9H,7H2,1-6H3,(H,12,13)
InChIKeyMNERADWZRVRGLQ-UHFFFAOYSA-N
XLogP16.28
TPSA268.31 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds31
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001527.35
LogP ≤ 516.28
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

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-cyclobutyl-2-ethoxypropanamide;N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide;N-tert-butyl-2-ethoxy-3,3-dimethylbutanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-3-methylbutanamide;N-tert-butyl-2-ethoxy-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide?
The IUPAC name of N-tert-butyl-3-cyclobutyl-2-ethoxypropanamide;N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide;N-tert-butyl-2-ethoxy-3,3-dimethylbutanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-3-methylbutanamide;N-tert-butyl-2-ethoxy-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide (CID 159615168) is N-tert-butyl-3-cyclobutyl-2-ethoxypropanamide;N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide;N-tert-butyl-2-ethoxy-3,3-dimethylbutanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-3-methylbutanamide;N-tert-butyl-2-ethoxy-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide.
What is the SMILES notation for N-tert-butyl-3-cyclobutyl-2-ethoxypropanamide;N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide;N-tert-butyl-2-ethoxy-3,3-dimethylbutanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-3-methylbutanamide;N-tert-butyl-2-ethoxy-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide?
The canonical SMILES for N-tert-butyl-3-cyclobutyl-2-ethoxypropanamide;N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide;N-tert-butyl-2-ethoxy-3,3-dimethylbutanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-3-methylbutanamide;N-tert-butyl-2-ethoxy-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide is C=C(C)CC(OCC)C(=O)NC(C)(C)C.CCOC(C(=O)NC(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(CC1CC1C)C(=O)NC(C)(C)C.CCOC(CC1CCC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-cyclobutyl-2-ethoxypropanamide;N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide;N-tert-butyl-2-ethoxy-3,3-dimethylbutanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-3-methylbutanamide;N-tert-butyl-2-ethoxy-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide?
The InChIKey is MNERADWZRVRGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H25NO2.C13H27NO2.C12H23NO2.C12H25NO2.C12H23NO2.C11H23NO2/c1-6-16-11(8-10-7-9(10)2)12(15)14-13(3,4)5;1-5-16-11(9-10-7-6-8-10)12(15)14-13(2,3)4;1-8-16-10(9-12(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;1-8-15-9(11(2,3)4)10(14)13-12(5,6)7;1-7-15-10(8-9(2)3)11(14)13-12(4,5)6;1-7-14-9(8(2)3)10(13)12-11(4,5)6/h9-11H,6-8H2,1-5H3,(H,14,15);10-11H,5-9H2,1-4H3,(H,14,15);10H,8-9H2,1-7H3,(H,14,15);9-10H,5-8H2,1-4H3,(H,13,14);9H,8H2,1-7H3,(H,13,14);10H,2,7-8H2,1,3-6H3,(H,13,14);8-9H,7H2,1-6H3,(H,12,13).
What are the key properties of N-tert-butyl-3-cyclobutyl-2-ethoxypropanamide;N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide;N-tert-butyl-2-ethoxy-3,3-dimethylbutanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-3-methylbutanamide;N-tert-butyl-2-ethoxy-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide?
N-tert-butyl-3-cyclobutyl-2-ethoxypropanamide;N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide;N-tert-butyl-2-ethoxy-3,3-dimethylbutanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-3-methylbutanamide;N-tert-butyl-2-ethoxy-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide has a molecular weight of 1527.35 g/mol, XLogP of 16.28, 31 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-cyclobutyl-2-ethoxypropanamide;N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide;N-tert-butyl-2-ethoxy-3,3-dimethylbutanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-2-ethoxy-3-methylbutanamide;N-tert-butyl-2-ethoxy-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-ethoxy-4-methylpent-4-enamide is sourced from PubChem (CID 159615168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).