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

C25H23N3O3 — CID 14208290

IUPAC2-(3-methoxyphenyl)-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]acetamide
SMILESCOc1cccc(CC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1
InChIInChI=1S/C25H23N3O3/c1-28-21-14-7-6-13-20(21)23(18-10-4-3-5-11-18)27-24(25(28)30)26-22(29)16-17-9-8-12-19(15-17)31-2/h3-15,24H,16H2,1-2H3,(H,26,29)/t24-/m0/s1
InChIKeyPBYRTWGAOBPBRR-DEOSSOPVSA-N
MW413.48 g/mol
LogP3.19
Rot. Bonds5

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

2-(3-methoxyphenyl)-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]acetamide (PubChem CID 14208290) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]acetamide
PubChem CID14208290
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name2-(3-methoxyphenyl)-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]acetamide
SMILESCOc1cccc(CC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1
InChIInChI=1S/C25H23N3O3/c1-28-21-14-7-6-13-20(21)23(18-10-4-3-5-11-18)27-24(25(28)30)26-22(29)16-17-9-8-12-19(15-17)31-2/h3-15,24H,16H2,1-2H3,(H,26,29)/t24-/m0/s1
InChIKeyPBYRTWGAOBPBRR-DEOSSOPVSA-N
XLogP3.19
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-4-phenylbutanamide
CID 22854095
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CID 70144574
(2S)-2-[[2-(3-fluorophenyl)acetyl]amino]-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide
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2-(1H-indol-3-yl)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetamide
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N-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]benzamide
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CID 10051253
1-(4-ethylphenyl)-3-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea
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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]acetamide (CID 14208290) is 2-(3-methoxyphenyl)-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]acetamide is COc1cccc(CC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]acetamide?
The InChIKey is PBYRTWGAOBPBRR-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-28-21-14-7-6-13-20(21)23(18-10-4-3-5-11-18)27-24(25(28)30)26-22(29)16-17-9-8-12-19(15-17)31-2/h3-15,24H,16H2,1-2H3,(H,26,29)/t24-/m0/s1.
What are the key properties of 2-(3-methoxyphenyl)-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]acetamide?
2-(3-methoxyphenyl)-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]acetamide has a molecular weight of 413.48 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]acetamide is sourced from PubChem (CID 14208290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).