2-[[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide

C24H30N4O3 — CID 8810136

IUPAC2-[[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C
InChIInChI=1S/C24H30N4O3/c1-4-13-27(15-23(30)25-19-10-6-5-9-17(19)2)16-24(31)28-18(3)14-22(29)26-20-11-7-8-12-21(20)28/h5-12,18H,4,13-16H2,1-3H3,(H,25,30)(H,26,29)/t18-/m0/s1
InChIKeyLPRXKYHRBGXRPI-SFHVURJKSA-N
MW422.53 g/mol
LogP3.41
Rot. Bonds7

About 2-[[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide

2-[[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide (PubChem CID 8810136) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-[[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
PubChem CID8810136
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name2-[[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C
InChIInChI=1S/C24H30N4O3/c1-4-13-27(15-23(30)25-19-10-6-5-9-17(19)2)16-24(31)28-18(3)14-22(29)26-20-11-7-8-12-21(20)28/h5-12,18H,4,13-16H2,1-3H3,(H,25,30)(H,26,29)/t18-/m0/s1
InChIKeyLPRXKYHRBGXRPI-SFHVURJKSA-N
XLogP3.41
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

ethyl N-[2-[ethyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]acetyl]carbamate
CID 8792288
N-(2-chlorophenyl)-2-[methyl-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]acetamide
CID 17494997
N-(2-cyanophenyl)-2-[methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]acetamide
CID 51483205
2-[ethyl-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 46614321
2-[ethyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 8792857
5-[2-[2-hydroxyethyl(methyl)amino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 56809358
5-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 18226758
(4R)-4-methyl-5-[2-(methylamino)acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 9391866
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide
CID 9038815
4-chloro-N,2-dimethyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]benzenesulfonamide
CID 55689415
(2R)-N-(3-chloro-2-methylphenyl)-2-[methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]propanamide
CID 129376860
ethyl N-[2-methyl-3-[[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]phenyl]carbamate
CID 52728361

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide (CID 8810136) is 2-[[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide is CCCN(CC(=O)Nc1ccccc1C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C.
What is the InChIKey of 2-[[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide?
The InChIKey is LPRXKYHRBGXRPI-SFHVURJKSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-4-13-27(15-23(30)25-19-10-6-5-9-17(19)2)16-24(31)28-18(3)14-22(29)26-20-11-7-8-12-21(20)28/h5-12,18H,4,13-16H2,1-3H3,(H,25,30)(H,26,29)/t18-/m0/s1.
What are the key properties of 2-[[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide?
2-[[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide has a molecular weight of 422.53 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 8810136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).