N-[2-[[1-(1,3-dihydroisoindol-2-yl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide

C29H35N5O5 — CID 142730485

About N-[2-[[1-(1,3-dihydroisoindol-2-yl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide

N-[2-[[1-(1,3-dihydroisoindol-2-yl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 142730485) has the molecular formula C29H35N5O5 and a molecular weight of 533.63 g/mol. Its IUPAC name is N-[2-[[1-(1,3-dihydroisoindol-2-yl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[1-(1,3-dihydroisoindol-2-yl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
• PubChem CID: 142730485
• Molecular Formula: C29H35N5O5
• Molecular Weight: 533.63 g/mol
• Exact Mass: 533.26
• IUPAC Name: N-[2-[[1-(1,3-dihydroisoindol-2-yl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
• SMILES: O=C(CNC(=O)C1CCCN1C(=O)C1CCCN1)NC(Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C1
• InChI: InChI=1S/C29H35N5O5/c35-22-11-9-19(10-12-22)15-24(28(38)33-17-20-5-1-2-6-21(20)18-33)32-26(36)16-31-27(37)25-8-4-14-34(25)29(39)23-7-3-13-30-23/h1-2,5-6,9-12,23-25,30,35H,3-4,7-8,13-18H2,(H,31,37)(H,32,36)
• InChIKey: QDBDGZLOUDGKMG-UHFFFAOYSA-N
• XLogP: 0.82
• TPSA: 131.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.63
LogP ≤ 5	0.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(1,3-dihydroisoindol-2-yl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide?

The IUPAC name of N-[2-[[1-(1,3-dihydroisoindol-2-yl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide (CID 142730485) is N-[2-[[1-(1,3-dihydroisoindol-2-yl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide.

What is the SMILES notation for N-[2-[[1-(1,3-dihydroisoindol-2-yl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide?

The canonical SMILES for N-[2-[[1-(1,3-dihydroisoindol-2-yl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide is O=C(CNC(=O)C1CCCN1C(=O)C1CCCN1)NC(Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C1.

What is the InChIKey of N-[2-[[1-(1,3-dihydroisoindol-2-yl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide?

The InChIKey is QDBDGZLOUDGKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O5/c35-22-11-9-19(10-12-22)15-24(28(38)33-17-20-5-1-2-6-21(20)18-33)32-26(36)16-31-27(37)25-8-4-14-34(25)29(39)23-7-3-13-30-23/h1-2,5-6,9-12,23-25,30,35H,3-4,7-8,13-18H2,(H,31,37)(H,32,36).

What are the key properties of N-[2-[[1-(1,3-dihydroisoindol-2-yl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide?

N-[2-[[1-(1,3-dihydroisoindol-2-yl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 533.63 g/mol, XLogP of 0.82, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[1-(1,3-dihydroisoindol-2-yl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 142730485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).