N-[1-[[1-[[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-hydroxycyclobutane-1-carboxamide

C29H41N3O7 — CID 86297508

About N-[1-[[1-[[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-hydroxycyclobutane-1-carboxamide

N-[1-[[1-[[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-hydroxycyclobutane-1-carboxamide (PubChem CID 86297508) has the molecular formula C29H41N3O7 and a molecular weight of 543.66 g/mol. Its IUPAC name is N-[1-[[1-[[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-hydroxycyclobutane-1-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[1-[[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-hydroxycyclobutane-1-carboxamide
• PubChem CID: 86297508
• Molecular Formula: C29H41N3O7
• Molecular Weight: 543.66 g/mol
• Exact Mass: 543.29
• IUPAC Name: N-[1-[[1-[[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-hydroxycyclobutane-1-carboxamide
• SMILES: COc1ccc(CC(NC(=O)C(C)NC(=O)C2CC(O)C2)C(=O)NC(CC2CCCC2)C(=O)C2(C)CO2)cc1
• InChI: InChI=1S/C29H41N3O7/c1-17(30-27(36)20-14-21(33)15-20)26(35)32-24(13-19-8-10-22(38-3)11-9-19)28(37)31-23(12-18-6-4-5-7-18)25(34)29(2)16-39-29/h8-11,17-18,20-21,23-24,33H,4-7,12-16H2,1-3H3,(H,30,36)(H,31,37)(H,32,35)
• InChIKey: KDHYIBPXZARBBD-UHFFFAOYSA-N
• XLogP: 1.42
• TPSA: 146.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.66
LogP ≤ 5	1.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-[[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-hydroxycyclobutane-1-carboxamide?

The IUPAC name of N-[1-[[1-[[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-hydroxycyclobutane-1-carboxamide (CID 86297508) is N-[1-[[1-[[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-hydroxycyclobutane-1-carboxamide.

What is the SMILES notation for N-[1-[[1-[[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-hydroxycyclobutane-1-carboxamide?

The canonical SMILES for N-[1-[[1-[[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-hydroxycyclobutane-1-carboxamide is COc1ccc(CC(NC(=O)C(C)NC(=O)C2CC(O)C2)C(=O)NC(CC2CCCC2)C(=O)C2(C)CO2)cc1.

What is the InChIKey of N-[1-[[1-[[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-hydroxycyclobutane-1-carboxamide?

The InChIKey is KDHYIBPXZARBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N3O7/c1-17(30-27(36)20-14-21(33)15-20)26(35)32-24(13-19-8-10-22(38-3)11-9-19)28(37)31-23(12-18-6-4-5-7-18)25(34)29(2)16-39-29/h8-11,17-18,20-21,23-24,33H,4-7,12-16H2,1-3H3,(H,30,36)(H,31,37)(H,32,35).

What are the key properties of N-[1-[[1-[[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-hydroxycyclobutane-1-carboxamide?

N-[1-[[1-[[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-hydroxycyclobutane-1-carboxamide has a molecular weight of 543.66 g/mol, XLogP of 1.42, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[1-[[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-hydroxycyclobutane-1-carboxamide is sourced from PubChem (CID 86297508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).