2-methoxyimino-3-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]butanamide

C25H27N5O3 — CID 74953189

IUPAC2-methoxyimino-3-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]butanamide
SMILESCON=C(C(=O)Nc1ccc(C(=O)N2CCc3[nH]c(C)nc3-c3ccccc32)cc1)C(C)C
InChIInChI=1S/C25H27N5O3/c1-15(2)22(29-33-4)24(31)28-18-11-9-17(10-12-18)25(32)30-14-13-20-23(27-16(3)26-20)19-7-5-6-8-21(19)30/h5-12,15H,13-14H2,1-4H3,(H,26,27)(H,28,31)
InChIKeyKWBPAUGYCCZHLG-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.18
Rot. Bonds5

About 2-methoxyimino-3-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]butanamide

2-methoxyimino-3-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]butanamide (PubChem CID 74953189) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 2-methoxyimino-3-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]butanamide.

Molecular Properties

Compound Name2-methoxyimino-3-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]butanamide
PubChem CID74953189
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name2-methoxyimino-3-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]butanamide
SMILESCON=C(C(=O)Nc1ccc(C(=O)N2CCc3[nH]c(C)nc3-c3ccccc32)cc1)C(C)C
InChIInChI=1S/C25H27N5O3/c1-15(2)22(29-33-4)24(31)28-18-11-9-17(10-12-18)25(32)30-14-13-20-23(27-16(3)26-20)19-7-5-6-8-21(19)30/h5-12,15H,13-14H2,1-4H3,(H,26,27)(H,28,31)
InChIKeyKWBPAUGYCCZHLG-UHFFFAOYSA-N
XLogP4.18
TPSA99.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)-N-(2-phenylphenyl)benzamide
CID 22058229
N-[4-[1-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepin-6-yl)ethenyl]phenyl]-2-phenylbenzamide
CID 58821270
N-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide
CID 118689039
N-[4-[2-(6-methyl-2-pyridinyl)-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl]phenyl]-2-phenylbenzamide
CID 10189136
N-[4-(2,3-dimethyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide
CID 15838539
(Z)-but-2-ene;N-[4-(2-methyl-4,5-dimethylidene-7,8-dihydro-1H-imidazo[4,5-d]azepine-6-carbonyl)phenyl]-2-phenylbenzamide
CID 142078630
ethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate
CID 17463850
2-(2-chlorophenyl)-N-[4-(6,7-dihydrobenzo[d][1]benzazepine-5-carbonyl)phenyl]acetamide
CID 67625377
2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methylpentanamide;hydrochloride
CID 119761284
2-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 108502677
N-(4-acetamidophenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049557
N-[4-[2-(3-aminopropyl)-4,5-dihydro-[1,3]thiazolo[5,4-d][1]benzazepine-6-carbonyl]phenyl]-2-phenylbenzamide
CID 11800957

Frequently Asked Questions

What is the IUPAC name of 2-methoxyimino-3-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]butanamide?
The IUPAC name of 2-methoxyimino-3-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]butanamide (CID 74953189) is 2-methoxyimino-3-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]butanamide.
What is the SMILES notation for 2-methoxyimino-3-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]butanamide?
The canonical SMILES for 2-methoxyimino-3-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]butanamide is CON=C(C(=O)Nc1ccc(C(=O)N2CCc3[nH]c(C)nc3-c3ccccc32)cc1)C(C)C.
What is the InChIKey of 2-methoxyimino-3-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]butanamide?
The InChIKey is KWBPAUGYCCZHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-15(2)22(29-33-4)24(31)28-18-11-9-17(10-12-18)25(32)30-14-13-20-23(27-16(3)26-20)19-7-5-6-8-21(19)30/h5-12,15H,13-14H2,1-4H3,(H,26,27)(H,28,31).
What are the key properties of 2-methoxyimino-3-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]butanamide?
2-methoxyimino-3-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]butanamide has a molecular weight of 445.52 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyimino-3-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]butanamide is sourced from PubChem (CID 74953189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).