(2S)-2-[methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-2-phenylacetamide

C21H24N4O3 — CID 51889190

About (2S)-2-[methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-2-phenylacetamide

(2S)-2-[methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-2-phenylacetamide (PubChem CID 51889190) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is (2S)-2-[methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-2-phenylacetamide.

Molecular Properties

• Compound Name: (2S)-2-[methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-2-phenylacetamide
• PubChem CID: 51889190
• Molecular Formula: C21H24N4O3
• Molecular Weight: 380.45 g/mol
• Exact Mass: 380.18
• IUPAC Name: (2S)-2-[methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-2-phenylacetamide
• SMILES: C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)[C@H](C(N)=O)c1ccccc1
• InChI: InChI=1S/C21H24N4O3/c1-14-12-18(26)23-16-10-6-7-11-17(16)25(14)19(27)13-24(2)20(21(22)28)15-8-4-3-5-9-15/h3-11,14,20H,12-13H2,1-2H3,(H2,22,28)(H,23,26)/t14-,20+/m1/s1
• InChIKey: RPJDYFBCPYKNRY-VLIAUNLRSA-N
• XLogP: 1.91
• TPSA: 95.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.45
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-2-phenylacetamide?

The IUPAC name of (2S)-2-[methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-2-phenylacetamide (CID 51889190) is (2S)-2-[methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-2-phenylacetamide.

What is the SMILES notation for (2S)-2-[methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-2-phenylacetamide?

The canonical SMILES for (2S)-2-[methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-2-phenylacetamide is C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)[C@H](C(N)=O)c1ccccc1.

What is the InChIKey of (2S)-2-[methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-2-phenylacetamide?

The InChIKey is RPJDYFBCPYKNRY-VLIAUNLRSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14-12-18(26)23-16-10-6-7-11-17(16)25(14)19(27)13-24(2)20(21(22)28)15-8-4-3-5-9-15/h3-11,14,20H,12-13H2,1-2H3,(H2,22,28)(H,23,26)/t14-,20+/m1/s1.

What are the key properties of (2S)-2-[methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-2-phenylacetamide?

(2S)-2-[methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-2-phenylacetamide has a molecular weight of 380.45 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-2-phenylacetamide is sourced from PubChem (CID 51889190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).