N-[2-[1-(ethylamino)ethyl]phenyl]azepane-1-carboxamide

C17H27N3O — CID 79157491

IUPACN-[2-[1-(ethylamino)ethyl]phenyl]azepane-1-carboxamide
SMILESCCNC(C)c1ccccc1NC(=O)N1CCCCCC1
InChIInChI=1S/C17H27N3O/c1-3-18-14(2)15-10-6-7-11-16(15)19-17(21)20-12-8-4-5-9-13-20/h6-7,10-11,14,18H,3-5,8-9,12-13H2,1-2H3,(H,19,21)
InChIKeyJNYLGAKCOYMMKZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.77
Rot. Bonds4

About N-[2-[1-(ethylamino)ethyl]phenyl]azepane-1-carboxamide

N-[2-[1-(ethylamino)ethyl]phenyl]azepane-1-carboxamide (PubChem CID 79157491) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[2-[1-(ethylamino)ethyl]phenyl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(ethylamino)ethyl]phenyl]azepane-1-carboxamide
PubChem CID79157491
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[2-[1-(ethylamino)ethyl]phenyl]azepane-1-carboxamide
SMILESCCNC(C)c1ccccc1NC(=O)N1CCCCCC1
InChIInChI=1S/C17H27N3O/c1-3-18-14(2)15-10-6-7-11-16(15)19-17(21)20-12-8-4-5-9-13-20/h6-7,10-11,14,18H,3-5,8-9,12-13H2,1-2H3,(H,19,21)
InChIKeyJNYLGAKCOYMMKZ-UHFFFAOYSA-N
XLogP3.77
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[1-(ethylamino)ethyl]phenyl]cyclohexanecarboxamide
CID 43508004
N-[2-[1-(ethylamino)ethyl]phenyl]-1-methylcyclohexane-1-carboxamide
CID 106826466
3-[2-[1-(ethylamino)ethyl]phenyl]-1,1-dimethylurea
CID 79154848
1-cyclobutyl-3-[2-[1-(ethylamino)ethyl]phenyl]urea
CID 116658189
N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583
N-(2-hydroxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 91801800
N-[2-[1-(ethylamino)ethyl]phenyl]-3,3-dimethylbutanamide
CID 43508002
3-oxo-3-piperidin-1-yl-N-(2-propan-2-ylphenyl)propanamide
CID 108942407
N-[2-[1-(ethylamino)ethyl]phenyl]oxolane-3-carboxamide
CID 61272378
N-(2-propan-2-ylphenyl)morpholine-4-carboxamide
CID 3684146
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethylamino]ethanone
CID 60674362
3-oxo-N-(2-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 108942028

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(ethylamino)ethyl]phenyl]azepane-1-carboxamide?
The IUPAC name of N-[2-[1-(ethylamino)ethyl]phenyl]azepane-1-carboxamide (CID 79157491) is N-[2-[1-(ethylamino)ethyl]phenyl]azepane-1-carboxamide.
What is the SMILES notation for N-[2-[1-(ethylamino)ethyl]phenyl]azepane-1-carboxamide?
The canonical SMILES for N-[2-[1-(ethylamino)ethyl]phenyl]azepane-1-carboxamide is CCNC(C)c1ccccc1NC(=O)N1CCCCCC1.
What is the InChIKey of N-[2-[1-(ethylamino)ethyl]phenyl]azepane-1-carboxamide?
The InChIKey is JNYLGAKCOYMMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-18-14(2)15-10-6-7-11-16(15)19-17(21)20-12-8-4-5-9-13-20/h6-7,10-11,14,18H,3-5,8-9,12-13H2,1-2H3,(H,19,21).
What are the key properties of N-[2-[1-(ethylamino)ethyl]phenyl]azepane-1-carboxamide?
N-[2-[1-(ethylamino)ethyl]phenyl]azepane-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(ethylamino)ethyl]phenyl]azepane-1-carboxamide is sourced from PubChem (CID 79157491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).