[1-(4-methylcyclohexyl)-2-[[4-[[(4R)-4-methyl-2-oxoimidazolidin-1-yl]methyl]-2-pyridinyl]amino]-2-oxoethyl] N-tert-butylcarbamate

C24H37N5O4 — CID 177253661

About [1-(4-methylcyclohexyl)-2-[[4-[[(4R)-4-methyl-2-oxoimidazolidin-1-yl]methyl]-2-pyridinyl]amino]-2-oxoethyl] N-tert-butylcarbamate

[1-(4-methylcyclohexyl)-2-[[4-[[(4R)-4-methyl-2-oxoimidazolidin-1-yl]methyl]-2-pyridinyl]amino]-2-oxoethyl] N-tert-butylcarbamate (PubChem CID 177253661) has the molecular formula C24H37N5O4 and a molecular weight of 459.59 g/mol. Its IUPAC name is [1-(4-methylcyclohexyl)-2-[[4-[[(4R)-4-methyl-2-oxoimidazolidin-1-yl]methyl]-2-pyridinyl]amino]-2-oxoethyl] N-tert-butylcarbamate.

Molecular Properties

• Compound Name: [1-(4-methylcyclohexyl)-2-[[4-[[(4R)-4-methyl-2-oxoimidazolidin-1-yl]methyl]-2-pyridinyl]amino]-2-oxoethyl] N-tert-butylcarbamate
• PubChem CID: 177253661
• Molecular Formula: C24H37N5O4
• Molecular Weight: 459.59 g/mol
• Exact Mass: 459.28
• IUPAC Name: [1-(4-methylcyclohexyl)-2-[[4-[[(4R)-4-methyl-2-oxoimidazolidin-1-yl]methyl]-2-pyridinyl]amino]-2-oxoethyl] N-tert-butylcarbamate
• SMILES: CC1CCC(C(OC(=O)NC(C)(C)C)C(=O)Nc2cc(CN3C[C@@H](C)NC3=O)ccn2)CC1
• InChI: InChI=1S/C24H37N5O4/c1-15-6-8-18(9-7-15)20(33-23(32)28-24(3,4)5)21(30)27-19-12-17(10-11-25-19)14-29-13-16(2)26-22(29)31/h10-12,15-16,18,20H,6-9,13-14H2,1-5H3,(H,26,31)(H,28,32)(H,25,27,30)/t15?,16-,18?,20?/m1/s1
• InChIKey: UKNXKWDEIVXTIR-VEYSPVKPSA-N
• XLogP: 3.65
• TPSA: 112.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.59
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylcyclohexyl)-2-[[4-[[(4R)-4-methyl-2-oxoimidazolidin-1-yl]methyl]-2-pyridinyl]amino]-2-oxoethyl] N-tert-butylcarbamate?

The IUPAC name of [1-(4-methylcyclohexyl)-2-[[4-[[(4R)-4-methyl-2-oxoimidazolidin-1-yl]methyl]-2-pyridinyl]amino]-2-oxoethyl] N-tert-butylcarbamate (CID 177253661) is [1-(4-methylcyclohexyl)-2-[[4-[[(4R)-4-methyl-2-oxoimidazolidin-1-yl]methyl]-2-pyridinyl]amino]-2-oxoethyl] N-tert-butylcarbamate.

What is the SMILES notation for [1-(4-methylcyclohexyl)-2-[[4-[[(4R)-4-methyl-2-oxoimidazolidin-1-yl]methyl]-2-pyridinyl]amino]-2-oxoethyl] N-tert-butylcarbamate?

The canonical SMILES for [1-(4-methylcyclohexyl)-2-[[4-[[(4R)-4-methyl-2-oxoimidazolidin-1-yl]methyl]-2-pyridinyl]amino]-2-oxoethyl] N-tert-butylcarbamate is CC1CCC(C(OC(=O)NC(C)(C)C)C(=O)Nc2cc(CN3C[C@@H](C)NC3=O)ccn2)CC1.

What is the InChIKey of [1-(4-methylcyclohexyl)-2-[[4-[[(4R)-4-methyl-2-oxoimidazolidin-1-yl]methyl]-2-pyridinyl]amino]-2-oxoethyl] N-tert-butylcarbamate?

The InChIKey is UKNXKWDEIVXTIR-VEYSPVKPSA-N. The full InChI is InChI=1S/C24H37N5O4/c1-15-6-8-18(9-7-15)20(33-23(32)28-24(3,4)5)21(30)27-19-12-17(10-11-25-19)14-29-13-16(2)26-22(29)31/h10-12,15-16,18,20H,6-9,13-14H2,1-5H3,(H,26,31)(H,28,32)(H,25,27,30)/t15?,16-,18?,20?/m1/s1.

What are the key properties of [1-(4-methylcyclohexyl)-2-[[4-[[(4R)-4-methyl-2-oxoimidazolidin-1-yl]methyl]-2-pyridinyl]amino]-2-oxoethyl] N-tert-butylcarbamate?

[1-(4-methylcyclohexyl)-2-[[4-[[(4R)-4-methyl-2-oxoimidazolidin-1-yl]methyl]-2-pyridinyl]amino]-2-oxoethyl] N-tert-butylcarbamate has a molecular weight of 459.59 g/mol, XLogP of 3.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(4-methylcyclohexyl)-2-[[4-[[(4R)-4-methyl-2-oxoimidazolidin-1-yl]methyl]-2-pyridinyl]amino]-2-oxoethyl] N-tert-butylcarbamate is sourced from PubChem (CID 177253661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).