7-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-chromene-5,7-dicarboxamide

C32H37N3O4 — CID 25181420

About 7-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-chromene-5,7-dicarboxamide

7-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-chromene-5,7-dicarboxamide (PubChem CID 25181420) has the molecular formula C32H37N3O4 and a molecular weight of 527.67 g/mol. Its IUPAC name is 7-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-chromene-5,7-dicarboxamide.

Molecular Properties

• Compound Name: 7-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-chromene-5,7-dicarboxamide
• PubChem CID: 25181420
• Molecular Formula: C32H37N3O4
• Molecular Weight: 527.67 g/mol
• Exact Mass: 527.28
• IUPAC Name: 7-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-chromene-5,7-dicarboxamide
• SMILES: C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)cc2c1CCCO2)c1ccccc1
• InChI: InChI=1S/C32H37N3O4/c1-21(23-11-6-3-7-12-23)34-32(38)27-18-24(19-30-26(27)13-8-16-39-30)31(37)35-28(17-22-9-4-2-5-10-22)29(36)20-33-25-14-15-25/h2-7,9-12,18-19,21,25,28-29,33,36H,8,13-17,20H2,1H3,(H,34,38)(H,35,37)/t21-,28+,29-/m1/s1
• InChIKey: QVCPGZYJEIDVFT-SPTGULJVSA-N
• XLogP: 3.96
• TPSA: 99.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.67
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-chromene-5,7-dicarboxamide?

The IUPAC name of 7-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-chromene-5,7-dicarboxamide (CID 25181420) is 7-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-chromene-5,7-dicarboxamide.

What is the SMILES notation for 7-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-chromene-5,7-dicarboxamide?

The canonical SMILES for 7-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-chromene-5,7-dicarboxamide is C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)cc2c1CCCO2)c1ccccc1.

What is the InChIKey of 7-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-chromene-5,7-dicarboxamide?

The InChIKey is QVCPGZYJEIDVFT-SPTGULJVSA-N. The full InChI is InChI=1S/C32H37N3O4/c1-21(23-11-6-3-7-12-23)34-32(38)27-18-24(19-30-26(27)13-8-16-39-30)31(37)35-28(17-22-9-4-2-5-10-22)29(36)20-33-25-14-15-25/h2-7,9-12,18-19,21,25,28-29,33,36H,8,13-17,20H2,1H3,(H,34,38)(H,35,37)/t21-,28+,29-/m1/s1.

What are the key properties of 7-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-chromene-5,7-dicarboxamide?

7-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-chromene-5,7-dicarboxamide has a molecular weight of 527.67 g/mol, XLogP of 3.96, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-chromene-5,7-dicarboxamide is sourced from PubChem (CID 25181420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).