2-cyclohex-3-en-1-yl-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]acetamide

C29H28N2O2 — CID 139662263

IUPAC2-cyclohex-3-en-1-yl-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]acetamide
SMILESO=C(CC1CC=CCC1)Nc1ccc(C(=O)N2Cc3ccccc3Cc3ccccc32)cc1
InChIInChI=1S/C29H28N2O2/c32-28(18-21-8-2-1-3-9-21)30-26-16-14-22(15-17-26)29(33)31-20-25-12-5-4-10-23(25)19-24-11-6-7-13-27(24)31/h1-2,4-7,10-17,21H,3,8-9,18-20H2,(H,30,32)
InChIKeySTBSUACYMDFNOV-UHFFFAOYSA-N
MW436.56 g/mol
LogP6.12
Rot. Bonds4

About 2-cyclohex-3-en-1-yl-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]acetamide

2-cyclohex-3-en-1-yl-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]acetamide (PubChem CID 139662263) has the molecular formula C29H28N2O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]acetamide
PubChem CID139662263
Molecular FormulaC29H28N2O2
Molecular Weight436.56 g/mol
Exact Mass436.22
IUPAC Name2-cyclohex-3-en-1-yl-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]acetamide
SMILESO=C(CC1CC=CCC1)Nc1ccc(C(=O)N2Cc3ccccc3Cc3ccccc32)cc1
InChIInChI=1S/C29H28N2O2/c32-28(18-21-8-2-1-3-9-21)30-26-16-14-22(15-17-26)29(33)31-20-25-12-5-4-10-23(25)19-24-11-6-7-13-27(24)31/h1-2,4-7,10-17,21H,3,8-9,18-20H2,(H,30,32)
InChIKeySTBSUACYMDFNOV-UHFFFAOYSA-N
XLogP6.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzamide
CID 15307981
2,3-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]benzamide
CID 67625330
N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119761289
2-(cyclohexylamino)-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]acetamide
CID 19608252
7-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]heptanamide
CID 119761257
N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-4-(methylamino)butanamide
CID 119761261
N-[4-(2-chloro-6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2,4-dimethylbenzamide
CID 67624769
2-tert-butylsulfanyl-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 60608468
N-[4-(9-chloro-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-2-phenylacetamide
CID 70344744
N-[4-(6H-benzo[b][1,4]benzothiazepine-5-carbonyl)phenyl]-2-(2-methylphenyl)acetamide
CID 67623973
N-[4-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)phenyl]-2-methylbenzamide
CID 15308000
(1S,6R)-6-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 7372088

Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-yl-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]acetamide?
The IUPAC name of 2-cyclohex-3-en-1-yl-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]acetamide (CID 139662263) is 2-cyclohex-3-en-1-yl-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-cyclohex-3-en-1-yl-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]acetamide is O=C(CC1CC=CCC1)Nc1ccc(C(=O)N2Cc3ccccc3Cc3ccccc32)cc1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]acetamide?
The InChIKey is STBSUACYMDFNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O2/c32-28(18-21-8-2-1-3-9-21)30-26-16-14-22(15-17-26)29(33)31-20-25-12-5-4-10-23(25)19-24-11-6-7-13-27(24)31/h1-2,4-7,10-17,21H,3,8-9,18-20H2,(H,30,32).
What are the key properties of 2-cyclohex-3-en-1-yl-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]acetamide?
2-cyclohex-3-en-1-yl-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]acetamide has a molecular weight of 436.56 g/mol, XLogP of 6.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]acetamide is sourced from PubChem (CID 139662263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).