2-heptyl-1-octylcyclopropane-1-carboxamide

C19H37NO — CID 57359731

IUPAC2-heptyl-1-octylcyclopropane-1-carboxamide
SMILESCCCCCCCCC1(C(N)=O)CC1CCCCCCC
InChIInChI=1S/C19H37NO/c1-3-5-7-9-11-13-15-19(18(20)21)16-17(19)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,20,21)
InChIKeyFNGNVEBVJKKOFV-UHFFFAOYSA-N
MW295.51 g/mol
LogP5.59
Rot. Bonds14

About 2-heptyl-1-octylcyclopropane-1-carboxamide

2-heptyl-1-octylcyclopropane-1-carboxamide (PubChem CID 57359731) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 2-heptyl-1-octylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-heptyl-1-octylcyclopropane-1-carboxamide
PubChem CID57359731
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name2-heptyl-1-octylcyclopropane-1-carboxamide
SMILESCCCCCCCCC1(C(N)=O)CC1CCCCCCC
InChIInChI=1S/C19H37NO/c1-3-5-7-9-11-13-15-19(18(20)21)16-17(19)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,20,21)
InChIKeyFNGNVEBVJKKOFV-UHFFFAOYSA-N
XLogP5.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1-hexadecylcyclopropane-1-carboxylic acid
CID 57080968
cis-(1S,2S)-1,2-dihexylcyclopropan-1-ol
CID 14921306
1,2-dihexylcyclohexane-1-carboxylic acid
CID 18962215
1-heptyl-2-methylcyclopropane-1-carboxylic acid
CID 70266688
diethyl (2S)-2-heptylcyclopropane-1,1-dicarboxylate
CID 68664186
1-decyl-2-(4-nitrophenyl)cyclopropane-1-carboxamide
CID 57101716
1-methyl-2-pentylcyclopropan-1-ol
CID 15701982
1,1-dimethyl-2-octylcyclopropane
CID 15329257
1-decylcyclobutane-1-carboxamide
CID 10037267
1,1-dichloro-2-octylcyclopropane
CID 10799099
1,1-dibromo-2-octylcyclopropane
CID 2780238
(2R)-1,1-difluoro-2-octylcyclopropane
CID 122227717

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-1-octylcyclopropane-1-carboxamide?
The IUPAC name of 2-heptyl-1-octylcyclopropane-1-carboxamide (CID 57359731) is 2-heptyl-1-octylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-heptyl-1-octylcyclopropane-1-carboxamide?
The canonical SMILES for 2-heptyl-1-octylcyclopropane-1-carboxamide is CCCCCCCCC1(C(N)=O)CC1CCCCCCC.
What is the InChIKey of 2-heptyl-1-octylcyclopropane-1-carboxamide?
The InChIKey is FNGNVEBVJKKOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-3-5-7-9-11-13-15-19(18(20)21)16-17(19)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,20,21).
What are the key properties of 2-heptyl-1-octylcyclopropane-1-carboxamide?
2-heptyl-1-octylcyclopropane-1-carboxamide has a molecular weight of 295.51 g/mol, XLogP of 5.59, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-1-octylcyclopropane-1-carboxamide is sourced from PubChem (CID 57359731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).