2-(azepane-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide

C19H26N2O2 — CID 109140690

IUPAC2-(azepane-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
SMILESCCc1ccccc1NC(=O)C1CC1C(=O)N1CCCCCC1
InChIInChI=1S/C19H26N2O2/c1-2-14-9-5-6-10-17(14)20-18(22)15-13-16(15)19(23)21-11-7-3-4-8-12-21/h5-6,9-10,15-16H,2-4,7-8,11-13H2,1H3,(H,20,22)
InChIKeyGJHMUVMVJHHCGO-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.23
Rot. Bonds4

About 2-(azepane-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide

2-(azepane-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide (PubChem CID 109140690) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-(azepane-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(azepane-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
PubChem CID109140690
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-(azepane-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
SMILESCCc1ccccc1NC(=O)C1CC1C(=O)N1CCCCCC1
InChIInChI=1S/C19H26N2O2/c1-2-14-9-5-6-10-17(14)20-18(22)15-13-16(15)19(23)21-11-7-3-4-8-12-21/h5-6,9-10,15-16H,2-4,7-8,11-13H2,1H3,(H,20,22)
InChIKeyGJHMUVMVJHHCGO-UHFFFAOYSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-acetylpiperazine-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 109134716
N-(2-methylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132258
ethyl 2-[[2-(azepane-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109140775
2-(azepane-1-carbonyl)-N-phenylcyclopropane-1-carboxamide
CID 109140677
N-(2-phenoxyphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132342
2-N-cyclopentyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109132081
2-(4-acetylpiperazine-1-carbonyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 109134727
1-N-(2-tert-butylphenyl)-2-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141992
N-(2,6-diethylphenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134564
2-N-benzyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109135043
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
2-N-(2-ethylphenyl)-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide
CID 109140512

Frequently Asked Questions

What is the IUPAC name of 2-(azepane-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(azepane-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide (CID 109140690) is 2-(azepane-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(azepane-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(azepane-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide is CCc1ccccc1NC(=O)C1CC1C(=O)N1CCCCCC1.
What is the InChIKey of 2-(azepane-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide?
The InChIKey is GJHMUVMVJHHCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-2-14-9-5-6-10-17(14)20-18(22)15-13-16(15)19(23)21-11-7-3-4-8-12-21/h5-6,9-10,15-16H,2-4,7-8,11-13H2,1H3,(H,20,22).
What are the key properties of 2-(azepane-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide?
2-(azepane-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepane-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109140690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).