N-benzyl-2-[(3S)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]acetamide

C20H25N3O — CID 95974838

IUPACN-benzyl-2-[(3S)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]acetamide
SMILESC[C@H]1CN(C)c2ccccc2CN1CC(=O)NCc1ccccc1
InChIInChI=1S/C20H25N3O/c1-16-13-22(2)19-11-7-6-10-18(19)14-23(16)15-20(24)21-12-17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyNYCGJDKIHAXZKA-INIZCTEOSA-N
MW323.44 g/mol
LogP2.64
Rot. Bonds4

About N-benzyl-2-[(3S)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]acetamide

N-benzyl-2-[(3S)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]acetamide (PubChem CID 95974838) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-benzyl-2-[(3S)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3S)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]acetamide
PubChem CID95974838
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-benzyl-2-[(3S)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]acetamide
SMILESC[C@H]1CN(C)c2ccccc2CN1CC(=O)NCc1ccccc1
InChIInChI=1S/C20H25N3O/c1-16-13-22(2)19-11-7-6-10-18(19)14-23(16)15-20(24)21-12-17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyNYCGJDKIHAXZKA-INIZCTEOSA-N
XLogP2.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-[(3S)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]acetamide 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

4-benzyl-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine
CID 11402886
methyl (3R)-2-[2-(benzylamino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 8758604
N-benzyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
CID 66207477
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-benzylacetamide
CID 80507204
3-[(3R)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-1-morpholin-4-ylpropan-1-one
CID 96837490
3-amino-1-[(3S)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]propan-1-one
CID 124695776
2-(3-aminoazetidin-1-yl)-N-benzylacetamide
CID 63760913
3-[2-[(3S)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 96534375
N-benzyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976872
4-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-2,2-dimethylbutanenitrile
CID 75393968
N-benzyl-2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetamide
CID 81333096
2-[(3R)-4-benzyl-3-methylpiperazin-1-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 155962236

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3S)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]acetamide?
The IUPAC name of N-benzyl-2-[(3S)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]acetamide (CID 95974838) is N-benzyl-2-[(3S)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[(3S)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]acetamide?
The canonical SMILES for N-benzyl-2-[(3S)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]acetamide is C[C@H]1CN(C)c2ccccc2CN1CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(3S)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]acetamide?
The InChIKey is NYCGJDKIHAXZKA-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25N3O/c1-16-13-22(2)19-11-7-6-10-18(19)14-23(16)15-20(24)21-12-17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,21,24)/t16-/m0/s1.
What are the key properties of N-benzyl-2-[(3S)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]acetamide?
N-benzyl-2-[(3S)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]acetamide has a molecular weight of 323.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3S)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]acetamide is sourced from PubChem (CID 95974838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).