N-[2-[[2-[[3-cyclopentyl-1-(oxiran-2-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide;1-methoxy-4-methylbenzene

C28H41N3O6 — CID 144719350

About N-[2-[[2-[[3-cyclopentyl-1-(oxiran-2-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide;1-methoxy-4-methylbenzene

N-[2-[[2-[[3-cyclopentyl-1-(oxiran-2-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide;1-methoxy-4-methylbenzene (PubChem CID 144719350) has the molecular formula C28H41N3O6 and a molecular weight of 515.65 g/mol. Its IUPAC name is N-[2-[[2-[[3-cyclopentyl-1-(oxiran-2-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide;1-methoxy-4-methylbenzene.

Molecular Properties

• Compound Name: N-[2-[[2-[[3-cyclopentyl-1-(oxiran-2-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide;1-methoxy-4-methylbenzene
• PubChem CID: 144719350
• Molecular Formula: C28H41N3O6
• Molecular Weight: 515.65 g/mol
• Exact Mass: 515.30
• IUPAC Name: N-[2-[[2-[[3-cyclopentyl-1-(oxiran-2-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide;1-methoxy-4-methylbenzene
• SMILES: COc1ccc(C)cc1.O=C(CNC(=O)C1CCCC1)NCC(=O)NC(CC1CCCC1)C(=O)C1CO1
• InChI: InChI=1S/C20H31N3O5.C8H10O/c24-17(10-22-20(27)14-7-3-4-8-14)21-11-18(25)23-15(19(26)16-12-28-16)9-13-5-1-2-6-13;1-7-3-5-8(9-2)6-4-7/h13-16H,1-12H2,(H,21,24)(H,22,27)(H,23,25);3-6H,1-2H3
• InChIKey: VDUZTRRQAQOVIW-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 126.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.65
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[[3-cyclopentyl-1-(oxiran-2-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide;1-methoxy-4-methylbenzene?

The IUPAC name of N-[2-[[2-[[3-cyclopentyl-1-(oxiran-2-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide;1-methoxy-4-methylbenzene (CID 144719350) is N-[2-[[2-[[3-cyclopentyl-1-(oxiran-2-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide;1-methoxy-4-methylbenzene.

What is the SMILES notation for N-[2-[[2-[[3-cyclopentyl-1-(oxiran-2-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide;1-methoxy-4-methylbenzene?

The canonical SMILES for N-[2-[[2-[[3-cyclopentyl-1-(oxiran-2-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide;1-methoxy-4-methylbenzene is COc1ccc(C)cc1.O=C(CNC(=O)C1CCCC1)NCC(=O)NC(CC1CCCC1)C(=O)C1CO1.

What is the InChIKey of N-[2-[[2-[[3-cyclopentyl-1-(oxiran-2-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide;1-methoxy-4-methylbenzene?

The InChIKey is VDUZTRRQAQOVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O5.C8H10O/c24-17(10-22-20(27)14-7-3-4-8-14)21-11-18(25)23-15(19(26)16-12-28-16)9-13-5-1-2-6-13;1-7-3-5-8(9-2)6-4-7/h13-16H,1-12H2,(H,21,24)(H,22,27)(H,23,25);3-6H,1-2H3.

What are the key properties of N-[2-[[2-[[3-cyclopentyl-1-(oxiran-2-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide;1-methoxy-4-methylbenzene?

N-[2-[[2-[[3-cyclopentyl-1-(oxiran-2-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide;1-methoxy-4-methylbenzene has a molecular weight of 515.65 g/mol, XLogP of 2.45, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[2-[[3-cyclopentyl-1-(oxiran-2-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide;1-methoxy-4-methylbenzene is sourced from PubChem (CID 144719350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).