2-cyclohexylethyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate

C22H37N3O5 — CID 71518675

IUPAC2-cyclohexylethyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OCCC1CCCCC1)C(=O)N[C@H](C=O)CC1CCNC1=O
InChIInChI=1S/C22H37N3O5/c1-15(2)12-19(25-22(29)30-11-9-16-6-4-3-5-7-16)21(28)24-18(14-26)13-17-8-10-23-20(17)27/h14-19H,3-13H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)/t17?,18-,19-/m0/s1
InChIKeyPAIFLHXUNPEQTI-MNNMKWMVSA-N
MW423.55 g/mol
LogP2.31
Rot. Bonds11

About 2-cyclohexylethyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate

2-cyclohexylethyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate (PubChem CID 71518675) has the molecular formula C22H37N3O5 and a molecular weight of 423.55 g/mol. Its IUPAC name is 2-cyclohexylethyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate.

Molecular Properties

Compound Name2-cyclohexylethyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate
PubChem CID71518675
Molecular FormulaC22H37N3O5
Molecular Weight423.55 g/mol
Exact Mass423.27
IUPAC Name2-cyclohexylethyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OCCC1CCCCC1)C(=O)N[C@H](C=O)CC1CCNC1=O
InChIInChI=1S/C22H37N3O5/c1-15(2)12-19(25-22(29)30-11-9-16-6-4-3-5-7-16)21(28)24-18(14-26)13-17-8-10-23-20(17)27/h14-19H,3-13H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)/t17?,18-,19-/m0/s1
InChIKeyPAIFLHXUNPEQTI-MNNMKWMVSA-N
XLogP2.31
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.55
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-cyclohexylethyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylethyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate?
The IUPAC name of 2-cyclohexylethyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate (CID 71518675) is 2-cyclohexylethyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate.
What is the SMILES notation for 2-cyclohexylethyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate?
The canonical SMILES for 2-cyclohexylethyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate is CC(C)C[C@H](NC(=O)OCCC1CCCCC1)C(=O)N[C@H](C=O)CC1CCNC1=O.
What is the InChIKey of 2-cyclohexylethyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate?
The InChIKey is PAIFLHXUNPEQTI-MNNMKWMVSA-N. The full InChI is InChI=1S/C22H37N3O5/c1-15(2)12-19(25-22(29)30-11-9-16-6-4-3-5-7-16)21(28)24-18(14-26)13-17-8-10-23-20(17)27/h14-19H,3-13H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)/t17?,18-,19-/m0/s1.
What are the key properties of 2-cyclohexylethyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate?
2-cyclohexylethyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate has a molecular weight of 423.55 g/mol, XLogP of 2.31, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylethyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate is sourced from PubChem (CID 71518675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).