3-cyclobutyl-2-ethoxy-N-propan-2-ylpropanamide;3-cyclopentyl-2-ethoxy-N-propan-2-ylpropanamide;3-cyclopropyl-2-ethoxy-N-propan-2-ylpropanamide;2-ethoxy-4,4-dimethyl-N-propan-2-ylpentanamide;2-ethoxy-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide;2-ethoxy-4-methyl-N-propan-2-ylpent-4-enamide

C71H138N6O12 — CID 157391652

IUPAC3-cyclobutyl-2-ethoxy-N-propan-2-ylpropanamide;3-cyclopentyl-2-ethoxy-N-propan-2-ylpropanamide;3-cyclopropyl-2-ethoxy-N-propan-2-ylpropanamide;2-ethoxy-4,4-dimethyl-N-propan-2-ylpentanamide;2-ethoxy-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide;2-ethoxy-4-methyl-N-propan-2-ylpent-4-enamide
SMILESC=C(C)CC(OCC)C(=O)NC(C)C.CCOC(CC(C)(C)C)C(=O)NC(C)C.CCOC(CC1CC1)C(=O)NC(C)C.CCOC(CC1CC1C)C(=O)NC(C)C.CCOC(CC1CCC1)C(=O)NC(C)C.CCOC(CC1CCCC1)C(=O)NC(C)C
InChIInChI=1S/C13H25NO2.2C12H23NO2.C12H25NO2.2C11H21NO2/c1-4-16-12(13(15)14-10(2)3)9-11-7-5-6-8-11;1-5-15-11(7-10-6-9(10)4)12(14)13-8(2)3;1-4-15-11(8-10-6-5-7-10)12(14)13-9(2)3;1-7-15-10(8-12(4,5)6)11(14)13-9(2)3;1-4-14-10(7-9-5-6-9)11(13)12-8(2)3;1-6-14-10(7-8(2)3)11(13)12-9(4)5/h10-12H,4-9H2,1-3H3,(H,14,15);8-11H,5-7H2,1-4H3,(H,13,14);9-11H,4-8H2,1-3H3,(H,13,14);9-10H,7-8H2,1-6H3,(H,13,14);8-10H,4-7H2,1-3H3,(H,12,13);9-10H,2,6-7H2,1,3-5H3,(H,12,13)
InChIKeyBMBQAZOIAFRHKB-UHFFFAOYSA-N
MW1267.91 g/mol
LogP12.52
Rot. Bonds35

About 3-cyclobutyl-2-ethoxy-N-propan-2-ylpropanamide;3-cyclopentyl-2-ethoxy-N-propan-2-ylpropanamide;3-cyclopropyl-2-ethoxy-N-propan-2-ylpropanamide;2-ethoxy-4,4-dimethyl-N-propan-2-ylpentanamide;2-ethoxy-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide;2-ethoxy-4-methyl-N-propan-2-ylpent-4-enamide

3-cyclobutyl-2-ethoxy-N-propan-2-ylpropanamide;3-cyclopentyl-2-ethoxy-N-propan-2-ylpropanamide;3-cyclopropyl-2-ethoxy-N-propan-2-ylpropanamide;2-ethoxy-4,4-dimethyl-N-propan-2-ylpentanamide;2-ethoxy-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide;2-ethoxy-4-methyl-N-propan-2-ylpent-4-enamide (PubChem CID 157391652) has the molecular formula C71H138N6O12 and a molecular weight of 1267.91 g/mol. Its IUPAC name is 3-cyclobutyl-2-ethoxy-N-propan-2-ylpropanamide;3-cyclopentyl-2-ethoxy-N-propan-2-ylpropanamide;3-cyclopropyl-2-ethoxy-N-propan-2-ylpropanamide;2-ethoxy-4,4-dimethyl-N-propan-2-ylpentanamide;2-ethoxy-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide;2-ethoxy-4-methyl-N-propan-2-ylpent-4-enamide.

Molecular Properties

Compound Name3-cyclobutyl-2-ethoxy-N-propan-2-ylpropanamide;3-cyclopentyl-2-ethoxy-N-propan-2-ylpropanamide;3-cyclopropyl-2-ethoxy-N-propan-2-ylpropanamide;2-ethoxy-4,4-dimethyl-N-propan-2-ylpentanamide;2-ethoxy-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide;2-ethoxy-4-methyl-N-propan-2-ylpent-4-enamide
PubChem CID157391652
Molecular FormulaC71H138N6O12
Molecular Weight1267.91 g/mol
Exact Mass1267.04
IUPAC Name3-cyclobutyl-2-ethoxy-N-propan-2-ylpropanamide;3-cyclopentyl-2-ethoxy-N-propan-2-ylpropanamide;3-cyclopropyl-2-ethoxy-N-propan-2-ylpropanamide;2-ethoxy-4,4-dimethyl-N-propan-2-ylpentanamide;2-ethoxy-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide;2-ethoxy-4-methyl-N-propan-2-ylpent-4-enamide
SMILESC=C(C)CC(OCC)C(=O)NC(C)C.CCOC(CC(C)(C)C)C(=O)NC(C)C.CCOC(CC1CC1)C(=O)NC(C)C.CCOC(CC1CC1C)C(=O)NC(C)C.CCOC(CC1CCC1)C(=O)NC(C)C.CCOC(CC1CCCC1)C(=O)NC(C)C
InChIInChI=1S/C13H25NO2.2C12H23NO2.C12H25NO2.2C11H21NO2/c1-4-16-12(13(15)14-10(2)3)9-11-7-5-6-8-11;1-5-15-11(7-10-6-9(10)4)12(14)13-8(2)3;1-4-15-11(8-10-6-5-7-10)12(14)13-9(2)3;1-7-15-10(8-12(4,5)6)11(14)13-9(2)3;1-4-14-10(7-9-5-6-9)11(13)12-8(2)3;1-6-14-10(7-8(2)3)11(13)12-9(4)5/h10-12H,4-9H2,1-3H3,(H,14,15);8-11H,5-7H2,1-4H3,(H,13,14);9-11H,4-8H2,1-3H3,(H,13,14);9-10H,7-8H2,1-6H3,(H,13,14);8-10H,4-7H2,1-3H3,(H,12,13);9-10H,2,6-7H2,1,3-5H3,(H,12,13)
InChIKeyBMBQAZOIAFRHKB-UHFFFAOYSA-N
XLogP12.52
TPSA229.98 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds35
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001267.91
LogP ≤ 512.52
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 3-cyclobutyl-2-ethoxy-N-propan-2-ylpropanamide;3-cyclopentyl-2-ethoxy-N-propan-2-ylpropanamide;3-cyclopropyl-2-ethoxy-N-propan-2-ylpropanamide;2-ethoxy-4,4-dimethyl-N-propan-2-ylpentanamide;2-ethoxy-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide;2-ethoxy-4-methyl-N-propan-2-ylpent-4-enamide?
The IUPAC name of 3-cyclobutyl-2-ethoxy-N-propan-2-ylpropanamide;3-cyclopentyl-2-ethoxy-N-propan-2-ylpropanamide;3-cyclopropyl-2-ethoxy-N-propan-2-ylpropanamide;2-ethoxy-4,4-dimethyl-N-propan-2-ylpentanamide;2-ethoxy-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide;2-ethoxy-4-methyl-N-propan-2-ylpent-4-enamide (CID 157391652) is 3-cyclobutyl-2-ethoxy-N-propan-2-ylpropanamide;3-cyclopentyl-2-ethoxy-N-propan-2-ylpropanamide;3-cyclopropyl-2-ethoxy-N-propan-2-ylpropanamide;2-ethoxy-4,4-dimethyl-N-propan-2-ylpentanamide;2-ethoxy-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide;2-ethoxy-4-methyl-N-propan-2-ylpent-4-enamide.
What is the SMILES notation for 3-cyclobutyl-2-ethoxy-N-propan-2-ylpropanamide;3-cyclopentyl-2-ethoxy-N-propan-2-ylpropanamide;3-cyclopropyl-2-ethoxy-N-propan-2-ylpropanamide;2-ethoxy-4,4-dimethyl-N-propan-2-ylpentanamide;2-ethoxy-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide;2-ethoxy-4-methyl-N-propan-2-ylpent-4-enamide?
The canonical SMILES for 3-cyclobutyl-2-ethoxy-N-propan-2-ylpropanamide;3-cyclopentyl-2-ethoxy-N-propan-2-ylpropanamide;3-cyclopropyl-2-ethoxy-N-propan-2-ylpropanamide;2-ethoxy-4,4-dimethyl-N-propan-2-ylpentanamide;2-ethoxy-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide;2-ethoxy-4-methyl-N-propan-2-ylpent-4-enamide is C=C(C)CC(OCC)C(=O)NC(C)C.CCOC(CC(C)(C)C)C(=O)NC(C)C.CCOC(CC1CC1)C(=O)NC(C)C.CCOC(CC1CC1C)C(=O)NC(C)C.CCOC(CC1CCC1)C(=O)NC(C)C.CCOC(CC1CCCC1)C(=O)NC(C)C.
What is the InChIKey of 3-cyclobutyl-2-ethoxy-N-propan-2-ylpropanamide;3-cyclopentyl-2-ethoxy-N-propan-2-ylpropanamide;3-cyclopropyl-2-ethoxy-N-propan-2-ylpropanamide;2-ethoxy-4,4-dimethyl-N-propan-2-ylpentanamide;2-ethoxy-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide;2-ethoxy-4-methyl-N-propan-2-ylpent-4-enamide?
The InChIKey is BMBQAZOIAFRHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2.2C12H23NO2.C12H25NO2.2C11H21NO2/c1-4-16-12(13(15)14-10(2)3)9-11-7-5-6-8-11;1-5-15-11(7-10-6-9(10)4)12(14)13-8(2)3;1-4-15-11(8-10-6-5-7-10)12(14)13-9(2)3;1-7-15-10(8-12(4,5)6)11(14)13-9(2)3;1-4-14-10(7-9-5-6-9)11(13)12-8(2)3;1-6-14-10(7-8(2)3)11(13)12-9(4)5/h10-12H,4-9H2,1-3H3,(H,14,15);8-11H,5-7H2,1-4H3,(H,13,14);9-11H,4-8H2,1-3H3,(H,13,14);9-10H,7-8H2,1-6H3,(H,13,14);8-10H,4-7H2,1-3H3,(H,12,13);9-10H,2,6-7H2,1,3-5H3,(H,12,13).
What are the key properties of 3-cyclobutyl-2-ethoxy-N-propan-2-ylpropanamide;3-cyclopentyl-2-ethoxy-N-propan-2-ylpropanamide;3-cyclopropyl-2-ethoxy-N-propan-2-ylpropanamide;2-ethoxy-4,4-dimethyl-N-propan-2-ylpentanamide;2-ethoxy-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide;2-ethoxy-4-methyl-N-propan-2-ylpent-4-enamide?
3-cyclobutyl-2-ethoxy-N-propan-2-ylpropanamide;3-cyclopentyl-2-ethoxy-N-propan-2-ylpropanamide;3-cyclopropyl-2-ethoxy-N-propan-2-ylpropanamide;2-ethoxy-4,4-dimethyl-N-propan-2-ylpentanamide;2-ethoxy-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide;2-ethoxy-4-methyl-N-propan-2-ylpent-4-enamide has a molecular weight of 1267.91 g/mol, XLogP of 12.52, 35 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-2-ethoxy-N-propan-2-ylpropanamide;3-cyclopentyl-2-ethoxy-N-propan-2-ylpropanamide;3-cyclopropyl-2-ethoxy-N-propan-2-ylpropanamide;2-ethoxy-4,4-dimethyl-N-propan-2-ylpentanamide;2-ethoxy-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide;2-ethoxy-4-methyl-N-propan-2-ylpent-4-enamide is sourced from PubChem (CID 157391652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).