N-(3-azido-2-oxo-5,7-diphenylazepan-1-yl)-3,3-dimethylbutanamide

C24H29N5O2 — CID 54378637

IUPACN-(3-azido-2-oxo-5,7-diphenylazepan-1-yl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NN1C(=O)C(N=[N+]=[N-])CC(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C24H29N5O2/c1-24(2,3)16-22(30)27-29-21(18-12-8-5-9-13-18)15-19(17-10-6-4-7-11-17)14-20(23(29)31)26-28-25/h4-13,19-21H,14-16H2,1-3H3,(H,27,30)
InChIKeyUYIVKGWYUPVVGM-UHFFFAOYSA-N
MW419.53 g/mol
LogP5.28
Rot. Bonds5

About N-(3-azido-2-oxo-5,7-diphenylazepan-1-yl)-3,3-dimethylbutanamide

N-(3-azido-2-oxo-5,7-diphenylazepan-1-yl)-3,3-dimethylbutanamide (PubChem CID 54378637) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-(3-azido-2-oxo-5,7-diphenylazepan-1-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(3-azido-2-oxo-5,7-diphenylazepan-1-yl)-3,3-dimethylbutanamide
PubChem CID54378637
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-(3-azido-2-oxo-5,7-diphenylazepan-1-yl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NN1C(=O)C(N=[N+]=[N-])CC(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C24H29N5O2/c1-24(2,3)16-22(30)27-29-21(18-12-8-5-9-13-18)15-19(17-10-6-4-7-11-17)14-20(23(29)31)26-28-25/h4-13,19-21H,14-16H2,1-3H3,(H,27,30)
InChIKeyUYIVKGWYUPVVGM-UHFFFAOYSA-N
XLogP5.28
TPSA98.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze N-(3-azido-2-oxo-5,7-diphenylazepan-1-yl)-3,3-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethyl-N-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-5,7-diphenylazepan-1-yl]butanamide
CID 57304078
3-azido-7-benzyl-1-(3,3-dimethyl-2-oxobutyl)-5-phenylazepan-2-one
CID 19037634
N-[3-(N-carbamoyl-2-methylanilino)-2-oxo-5,7-diphenylazepan-1-yl]-3,3-dimethylbutanamide
CID 54176444
2-[3-azido-5-(2-methoxyphenyl)-2-oxo-7-phenylazepan-1-yl]-N-tert-butylacetamide
CID 57223338
N-[3-(3-acetamido-N-carbamoylanilino)-2-oxo-5,7-diphenylazepan-1-yl]-3,3-dimethylbutanamide
CID 54507138
N-[7-(3-methoxyphenyl)-3-[(2-methoxyphenyl)carbamoylamino]-2-oxo-5-phenylazepan-1-yl]-3,3-dimethylbutanamide
CID 67726170
N-[3-(N-carbamoyl-3-methoxyanilino)-7-(3-methylphenyl)-2-oxo-5-phenylazepan-1-yl]-3,3-dimethylbutanamide
CID 56999692
(4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 118888246
N-tert-butyl-2-[3-[[3-(tert-butylamino)phenyl]carbamoylamino]-2-oxo-5,7-diphenylazepan-1-yl]acetamide
CID 67726038
2-[3-bromo-5-(2-methoxyphenyl)-2-oxo-7-phenylazepan-1-yl]-N-tert-butylacetamide
CID 54202250
2-[(3R,5R)-3-azido-8-methyl-5-(4-methylphenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]-N-tert-butylacetamide
CID 10093546
N-tert-butyl-2-[2-oxo-5,7-diphenyl-3-[(3-propan-2-ylphenyl)carbamoylamino]azepan-1-yl]acetamide
CID 67726022

Frequently Asked Questions

What is the IUPAC name of N-(3-azido-2-oxo-5,7-diphenylazepan-1-yl)-3,3-dimethylbutanamide?
The IUPAC name of N-(3-azido-2-oxo-5,7-diphenylazepan-1-yl)-3,3-dimethylbutanamide (CID 54378637) is N-(3-azido-2-oxo-5,7-diphenylazepan-1-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(3-azido-2-oxo-5,7-diphenylazepan-1-yl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(3-azido-2-oxo-5,7-diphenylazepan-1-yl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NN1C(=O)C(N=[N+]=[N-])CC(c2ccccc2)CC1c1ccccc1.
What is the InChIKey of N-(3-azido-2-oxo-5,7-diphenylazepan-1-yl)-3,3-dimethylbutanamide?
The InChIKey is UYIVKGWYUPVVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-24(2,3)16-22(30)27-29-21(18-12-8-5-9-13-18)15-19(17-10-6-4-7-11-17)14-20(23(29)31)26-28-25/h4-13,19-21H,14-16H2,1-3H3,(H,27,30).
What are the key properties of N-(3-azido-2-oxo-5,7-diphenylazepan-1-yl)-3,3-dimethylbutanamide?
N-(3-azido-2-oxo-5,7-diphenylazepan-1-yl)-3,3-dimethylbutanamide has a molecular weight of 419.53 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azido-2-oxo-5,7-diphenylazepan-1-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 54378637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).