N-[4-(5,5-dimethyl-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide

C27H28N2O2 — CID 70067704

IUPACN-[4-(5,5-dimethyl-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(C)(C)c3ccccc32)cc1
InChIInChI=1S/C27H28N2O2/c1-19-9-4-5-10-22(19)25(30)28-21-15-13-20(14-16-21)26(31)29-18-8-17-27(2,3)23-11-6-7-12-24(23)29/h4-7,9-16H,8,17-18H2,1-3H3,(H,28,30)
InChIKeyBFRCGHRVDPMDSC-UHFFFAOYSA-N
MW412.53 g/mol
LogP5.97
Rot. Bonds3

About N-[4-(5,5-dimethyl-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide

N-[4-(5,5-dimethyl-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide (PubChem CID 70067704) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[4-(5,5-dimethyl-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(5,5-dimethyl-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide
PubChem CID70067704
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC NameN-[4-(5,5-dimethyl-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(C)(C)c3ccccc32)cc1
InChIInChI=1S/C27H28N2O2/c1-19-9-4-5-10-22(19)25(30)28-21-15-13-20(14-16-21)26(31)29-18-8-17-27(2,3)23-11-6-7-12-24(23)29/h4-7,9-16H,8,17-18H2,1-3H3,(H,28,30)
InChIKeyBFRCGHRVDPMDSC-UHFFFAOYSA-N
XLogP5.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3,4-dihydro-2H-1,5-benzoxazepine-5-carbonyl)phenyl]-2-methylbenzamide
CID 10620180
2-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 17123959
N-[4-[(5R)-5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide
CID 51397025
[1-[4-[(2-methylbenzoyl)amino]benzoyl]-3,4-dihydro-2H-quinolin-4-yl] acetate
CID 19607914
N-[4-[5-(aminomethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide
CID 19607940
N-[4-(5-benzamido-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide
CID 70062128
2-[4,4-difluoro-1-[4-[(2-methylbenzoyl)amino]benzoyl]-2,3-dihydro-1-benzazepin-5-ylidene]acetic acid
CID 67659491
N-[4-[(5R)-5-(methoxymethoxy)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide
CID 139726301
(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-phenylmethanone
CID 71830919
N-[4-[(5E)-5-(cyanomethylidene)-3,4-dihydro-2H-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide
CID 11796452
potassium;hydride;2-[methyl-[1-[4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]amino]acetic acid
CID 173251401
N-[4-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)phenyl]-2-methylbenzamide
CID 15308000

Frequently Asked Questions

What is the IUPAC name of N-[4-(5,5-dimethyl-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-(5,5-dimethyl-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide (CID 70067704) is N-[4-(5,5-dimethyl-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-(5,5-dimethyl-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-(5,5-dimethyl-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(C)(C)c3ccccc32)cc1.
What is the InChIKey of N-[4-(5,5-dimethyl-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide?
The InChIKey is BFRCGHRVDPMDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-19-9-4-5-10-22(19)25(30)28-21-15-13-20(14-16-21)26(31)29-18-8-17-27(2,3)23-11-6-7-12-24(23)29/h4-7,9-16H,8,17-18H2,1-3H3,(H,28,30).
What are the key properties of N-[4-(5,5-dimethyl-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide?
N-[4-(5,5-dimethyl-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide has a molecular weight of 412.53 g/mol, XLogP of 5.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,5-dimethyl-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 70067704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).