2-benzyl-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide

C24H30N2O2 — CID 46259438

IUPAC2-benzyl-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide
SMILESCC(C)CCNC(=O)C1(C)CCc2ccccc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C24H30N2O2/c1-18(2)14-16-25-23(28)24(3)15-13-20-11-7-8-12-21(20)22(27)26(24)17-19-9-5-4-6-10-19/h4-12,18H,13-17H2,1-3H3,(H,25,28)
InChIKeyHHHAFWWREDZTCL-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.20
Rot. Bonds6

About 2-benzyl-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide

2-benzyl-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide (PubChem CID 46259438) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-benzyl-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide.

Molecular Properties

Compound Name2-benzyl-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide
PubChem CID46259438
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name2-benzyl-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide
SMILESCC(C)CCNC(=O)C1(C)CCc2ccccc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C24H30N2O2/c1-18(2)14-16-25-23(28)24(3)15-13-20-11-7-8-12-21(20)22(27)26(24)17-19-9-5-4-6-10-19/h4-12,18H,13-17H2,1-3H3,(H,25,28)
InChIKeyHHHAFWWREDZTCL-UHFFFAOYSA-N
XLogP4.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide?
The IUPAC name of 2-benzyl-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide (CID 46259438) is 2-benzyl-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide.
What is the SMILES notation for 2-benzyl-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide?
The canonical SMILES for 2-benzyl-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide is CC(C)CCNC(=O)C1(C)CCc2ccccc2C(=O)N1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide?
The InChIKey is HHHAFWWREDZTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-18(2)14-16-25-23(28)24(3)15-13-20-11-7-8-12-21(20)22(27)26(24)17-19-9-5-4-6-10-19/h4-12,18H,13-17H2,1-3H3,(H,25,28).
What are the key properties of 2-benzyl-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide?
2-benzyl-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide is sourced from PubChem (CID 46259438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).