N-[1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]cyclohexyl]acetamide

C24H27N3O2 — CID 67726989

IUPACN-[1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]cyclohexyl]acetamide
SMILESCC(=O)NC1([C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)CCCCC1
InChIInChI=1S/C24H27N3O2/c1-17(28)26-24(15-9-4-10-16-24)22-23(29)27(2)20-14-8-7-13-19(20)21(25-22)18-11-5-3-6-12-18/h3,5-8,11-14,22H,4,9-10,15-16H2,1-2H3,(H,26,28)/t22-/m0/s1
InChIKeyNSXPCAOMBQCXDI-QFIPXVFZSA-N
MW389.50 g/mol
LogP3.71
Rot. Bonds3

About N-[1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]cyclohexyl]acetamide

N-[1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]cyclohexyl]acetamide (PubChem CID 67726989) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]cyclohexyl]acetamide
PubChem CID67726989
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]cyclohexyl]acetamide
SMILESCC(=O)NC1([C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)CCCCC1
InChIInChI=1S/C24H27N3O2/c1-17(28)26-24(15-9-4-10-16-24)22-23(29)27(2)20-14-8-7-13-19(20)21(25-22)18-11-5-3-6-12-18/h3,5-8,11-14,22H,4,9-10,15-16H2,1-2H3,(H,26,28)/t22-/m0/s1
InChIKeyNSXPCAOMBQCXDI-QFIPXVFZSA-N
XLogP3.71
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]cyclohexyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

1-N-(3-methylbutyl)-1-N'-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)cyclopentane-1,1-dicarboxamide
CID 20739721
1-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]cyclohexane-1-carboxamide
CID 10119823
N-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]benzamide
CID 10499323
3-(bromoamino)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 89225778
4,7,7-trimethyl-N-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-oxobicyclo[2.2.1]heptane-2-carboxamide
CID 18649311
1-[(2S)-1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]-2-propan-2-ylcyclopropyl]cyclopentane-1-carboxamide
CID 142099946
3-azido-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 45358547
2-methyl-N'-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanediamide
CID 91530331
2-chloro-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)benzamide
CID 14208250
1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(2-phenylphenyl)urea
CID 59714426
1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-phenylthiourea
CID 15167831
(E)-N-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-phenylprop-2-enamide
CID 11741399

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]cyclohexyl]acetamide?
The IUPAC name of N-[1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]cyclohexyl]acetamide (CID 67726989) is N-[1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]cyclohexyl]acetamide.
What is the SMILES notation for N-[1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]cyclohexyl]acetamide?
The canonical SMILES for N-[1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]cyclohexyl]acetamide is CC(=O)NC1([C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)CCCCC1.
What is the InChIKey of N-[1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]cyclohexyl]acetamide?
The InChIKey is NSXPCAOMBQCXDI-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-17(28)26-24(15-9-4-10-16-24)22-23(29)27(2)20-14-8-7-13-19(20)21(25-22)18-11-5-3-6-12-18/h3,5-8,11-14,22H,4,9-10,15-16H2,1-2H3,(H,26,28)/t22-/m0/s1.
What are the key properties of N-[1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]cyclohexyl]acetamide?
N-[1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]cyclohexyl]acetamide has a molecular weight of 389.50 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]cyclohexyl]acetamide is sourced from PubChem (CID 67726989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).