4-(azepan-1-ylmethyl)-N-(9-ethylcarbazol-3-yl)benzamide

C28H31N3O — CID 38104347

IUPAC4-(azepan-1-ylmethyl)-N-(9-ethylcarbazol-3-yl)benzamide
SMILESCCn1c2ccccc2c2cc(NC(=O)c3ccc(CN4CCCCCC4)cc3)ccc21
InChIInChI=1S/C28H31N3O/c1-2-31-26-10-6-5-9-24(26)25-19-23(15-16-27(25)31)29-28(32)22-13-11-21(12-14-22)20-30-17-7-3-4-8-18-30/h5-6,9-16,19H,2-4,7-8,17-18,20H2,1H3,(H,29,32)
InChIKeyUIPADXPAQSJXSN-UHFFFAOYSA-N
MW425.58 g/mol
LogP6.44
Rot. Bonds5

About 4-(azepan-1-ylmethyl)-N-(9-ethylcarbazol-3-yl)benzamide

4-(azepan-1-ylmethyl)-N-(9-ethylcarbazol-3-yl)benzamide (PubChem CID 38104347) has the molecular formula C28H31N3O and a molecular weight of 425.58 g/mol. Its IUPAC name is 4-(azepan-1-ylmethyl)-N-(9-ethylcarbazol-3-yl)benzamide.

Molecular Properties

Compound Name4-(azepan-1-ylmethyl)-N-(9-ethylcarbazol-3-yl)benzamide
PubChem CID38104347
Molecular FormulaC28H31N3O
Molecular Weight425.58 g/mol
Exact Mass425.25
IUPAC Name4-(azepan-1-ylmethyl)-N-(9-ethylcarbazol-3-yl)benzamide
SMILESCCn1c2ccccc2c2cc(NC(=O)c3ccc(CN4CCCCCC4)cc3)ccc21
InChIInChI=1S/C28H31N3O/c1-2-31-26-10-6-5-9-24(26)25-19-23(15-16-27(25)31)29-28(32)22-13-11-21(12-14-22)20-30-17-7-3-4-8-18-30/h5-6,9-16,19H,2-4,7-8,17-18,20H2,1H3,(H,29,32)
InChIKeyUIPADXPAQSJXSN-UHFFFAOYSA-N
XLogP6.44
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9-ethylcarbazol-3-yl)-3-[4-(piperidin-1-ylmethyl)phenoxy]propanamide
CID 10139137
4-(azepan-1-ylmethyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide
CID 38099080
1-[(4-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide
CID 43926053
3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 53281808
N-(9-ethylcarbazol-3-yl)-4-propoxybenzamide
CID 17163838
1-[(3-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-4-carboxamide
CID 45008831
3-(4-chlorophenyl)-N-(9-ethylcarbazol-3-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 20912041
3,4,5-triethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 2945862
4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide
CID 38105181
(3S)-1-[(2-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide
CID 38104218
N-(9-ethylcarbazol-3-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 35740949
N-(3-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)benzamide
CID 19062870

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylmethyl)-N-(9-ethylcarbazol-3-yl)benzamide?
The IUPAC name of 4-(azepan-1-ylmethyl)-N-(9-ethylcarbazol-3-yl)benzamide (CID 38104347) is 4-(azepan-1-ylmethyl)-N-(9-ethylcarbazol-3-yl)benzamide.
What is the SMILES notation for 4-(azepan-1-ylmethyl)-N-(9-ethylcarbazol-3-yl)benzamide?
The canonical SMILES for 4-(azepan-1-ylmethyl)-N-(9-ethylcarbazol-3-yl)benzamide is CCn1c2ccccc2c2cc(NC(=O)c3ccc(CN4CCCCCC4)cc3)ccc21.
What is the InChIKey of 4-(azepan-1-ylmethyl)-N-(9-ethylcarbazol-3-yl)benzamide?
The InChIKey is UIPADXPAQSJXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O/c1-2-31-26-10-6-5-9-24(26)25-19-23(15-16-27(25)31)29-28(32)22-13-11-21(12-14-22)20-30-17-7-3-4-8-18-30/h5-6,9-16,19H,2-4,7-8,17-18,20H2,1H3,(H,29,32).
What are the key properties of 4-(azepan-1-ylmethyl)-N-(9-ethylcarbazol-3-yl)benzamide?
4-(azepan-1-ylmethyl)-N-(9-ethylcarbazol-3-yl)benzamide has a molecular weight of 425.58 g/mol, XLogP of 6.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylmethyl)-N-(9-ethylcarbazol-3-yl)benzamide is sourced from PubChem (CID 38104347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).