4-methyl-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]pentanamide

C22H25N3O2 — CID 14208282

IUPAC4-methyl-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]pentanamide
SMILESCC(C)CCC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O
InChIInChI=1S/C22H25N3O2/c1-15(2)13-14-19(26)23-21-22(27)25(3)18-12-8-7-11-17(18)20(24-21)16-9-5-4-6-10-16/h4-12,15,21H,13-14H2,1-3H3,(H,23,26)/t21-/m0/s1
InChIKeyFXDQYOUVTVOTJN-NRFANRHFSA-N
MW363.46 g/mol
LogP3.38
Rot. Bonds5

About 4-methyl-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]pentanamide

4-methyl-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]pentanamide (PubChem CID 14208282) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-methyl-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]pentanamide.

Molecular Properties

Compound Name4-methyl-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]pentanamide
PubChem CID14208282
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-methyl-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]pentanamide
SMILESCC(C)CCC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O
InChIInChI=1S/C22H25N3O2/c1-15(2)13-14-19(26)23-21-22(27)25(3)18-12-8-7-11-17(18)20(24-21)16-9-5-4-6-10-16/h4-12,15,21H,13-14H2,1-3H3,(H,23,26)/t21-/m0/s1
InChIKeyFXDQYOUVTVOTJN-NRFANRHFSA-N
XLogP3.38
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]pentanamide?
The IUPAC name of 4-methyl-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]pentanamide (CID 14208282) is 4-methyl-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]pentanamide.
What is the SMILES notation for 4-methyl-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]pentanamide?
The canonical SMILES for 4-methyl-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]pentanamide is CC(C)CCC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O.
What is the InChIKey of 4-methyl-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]pentanamide?
The InChIKey is FXDQYOUVTVOTJN-NRFANRHFSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15(2)13-14-19(26)23-21-22(27)25(3)18-12-8-7-11-17(18)20(24-21)16-9-5-4-6-10-16/h4-12,15,21H,13-14H2,1-3H3,(H,23,26)/t21-/m0/s1.
What are the key properties of 4-methyl-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]pentanamide?
4-methyl-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]pentanamide has a molecular weight of 363.46 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]pentanamide is sourced from PubChem (CID 14208282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).