2-[4-(azepane-1-carbonyl)anilino]-N-(2-ethoxyphenyl)acetamide

C23H29N3O3 — CID 54835054

IUPAC2-[4-(azepane-1-carbonyl)anilino]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CNc1ccc(C(=O)N2CCCCCC2)cc1
InChIInChI=1S/C23H29N3O3/c1-2-29-21-10-6-5-9-20(21)25-22(27)17-24-19-13-11-18(12-14-19)23(28)26-15-7-3-4-8-16-26/h5-6,9-14,24H,2-4,7-8,15-17H2,1H3,(H,25,27)
InChIKeyYGDZSGOWQXADKP-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.15
Rot. Bonds7

About 2-[4-(azepane-1-carbonyl)anilino]-N-(2-ethoxyphenyl)acetamide

2-[4-(azepane-1-carbonyl)anilino]-N-(2-ethoxyphenyl)acetamide (PubChem CID 54835054) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-[4-(azepane-1-carbonyl)anilino]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(azepane-1-carbonyl)anilino]-N-(2-ethoxyphenyl)acetamide
PubChem CID54835054
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-[4-(azepane-1-carbonyl)anilino]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CNc1ccc(C(=O)N2CCCCCC2)cc1
InChIInChI=1S/C23H29N3O3/c1-2-29-21-10-6-5-9-20(21)25-22(27)17-24-19-13-11-18(12-14-19)23(28)26-15-7-3-4-8-16-26/h5-6,9-14,24H,2-4,7-8,15-17H2,1H3,(H,25,27)
InChIKeyYGDZSGOWQXADKP-UHFFFAOYSA-N
XLogP4.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54831932
N-[2-(2-methylpropoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841714
2-[4-(azepane-1-carbonyl)anilino]-N-(2-phenylmethoxyphenyl)acetamide
CID 54834877
N-(2-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834093
2-[4-(azepane-1-carbonyl)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54835286
2-(2-methoxyanilino)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 54817219
N-[3-[[2-[4-(azepane-1-carbonyl)anilino]acetyl]amino]-2-methylphenyl]propanamide
CID 54834973
N-[2-(2-ethoxyethoxy)phenyl]-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832253
ethyl 4-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate
CID 51178437
N-(2,3-dimethylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841651
N-[2-methyl-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54833905
N-(2-bromophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834057

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azepane-1-carbonyl)anilino]-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[4-(azepane-1-carbonyl)anilino]-N-(2-ethoxyphenyl)acetamide (CID 54835054) is 2-[4-(azepane-1-carbonyl)anilino]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(azepane-1-carbonyl)anilino]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(azepane-1-carbonyl)anilino]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CNc1ccc(C(=O)N2CCCCCC2)cc1.
What is the InChIKey of 2-[4-(azepane-1-carbonyl)anilino]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is YGDZSGOWQXADKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-2-29-21-10-6-5-9-20(21)25-22(27)17-24-19-13-11-18(12-14-19)23(28)26-15-7-3-4-8-16-26/h5-6,9-14,24H,2-4,7-8,15-17H2,1H3,(H,25,27).
What are the key properties of 2-[4-(azepane-1-carbonyl)anilino]-N-(2-ethoxyphenyl)acetamide?
2-[4-(azepane-1-carbonyl)anilino]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 395.50 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azepane-1-carbonyl)anilino]-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 54835054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).