N-[2-[[1-(cyclohexylcarbamoyl)cyclohexyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide

C27H39N3O4 — CID 5027420

IUPACN-[2-[[1-(cyclohexylcarbamoyl)cyclohexyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N(CC1CCCO1)C1(C(=O)NC2CCCCC2)CCCCC1)c1ccccc1
InChIInChI=1S/C27H39N3O4/c31-24(19-28-25(32)21-11-4-1-5-12-21)30(20-23-15-10-18-34-23)27(16-8-3-9-17-27)26(33)29-22-13-6-2-7-14-22/h1,4-5,11-12,22-23H,2-3,6-10,13-20H2,(H,28,32)(H,29,33)
InChIKeyJASQIUKCQZXGMH-UHFFFAOYSA-N
MW469.63 g/mol
LogP3.58
Rot. Bonds8

About N-[2-[[1-(cyclohexylcarbamoyl)cyclohexyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide

N-[2-[[1-(cyclohexylcarbamoyl)cyclohexyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide (PubChem CID 5027420) has the molecular formula C27H39N3O4 and a molecular weight of 469.63 g/mol. Its IUPAC name is N-[2-[[1-(cyclohexylcarbamoyl)cyclohexyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[1-(cyclohexylcarbamoyl)cyclohexyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide
PubChem CID5027420
Molecular FormulaC27H39N3O4
Molecular Weight469.63 g/mol
Exact Mass469.29
IUPAC NameN-[2-[[1-(cyclohexylcarbamoyl)cyclohexyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N(CC1CCCO1)C1(C(=O)NC2CCCCC2)CCCCC1)c1ccccc1
InChIInChI=1S/C27H39N3O4/c31-24(19-28-25(32)21-11-4-1-5-12-21)30(20-23-15-10-18-34-23)27(16-8-3-9-17-27)26(33)29-22-13-6-2-7-14-22/h1,4-5,11-12,22-23H,2-3,6-10,13-20H2,(H,28,32)(H,29,33)
InChIKeyJASQIUKCQZXGMH-UHFFFAOYSA-N
XLogP3.58
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[1-(cyclohexylcarbamoyl)cyclohexyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide 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 N-[2-[[1-(cyclohexylcarbamoyl)cyclohexyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[1-(cyclohexylcarbamoyl)cyclohexyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide (CID 5027420) is N-[2-[[1-(cyclohexylcarbamoyl)cyclohexyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[1-(cyclohexylcarbamoyl)cyclohexyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[1-(cyclohexylcarbamoyl)cyclohexyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide is O=C(NCC(=O)N(CC1CCCO1)C1(C(=O)NC2CCCCC2)CCCCC1)c1ccccc1.
What is the InChIKey of N-[2-[[1-(cyclohexylcarbamoyl)cyclohexyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide?
The InChIKey is JASQIUKCQZXGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3O4/c31-24(19-28-25(32)21-11-4-1-5-12-21)30(20-23-15-10-18-34-23)27(16-8-3-9-17-27)26(33)29-22-13-6-2-7-14-22/h1,4-5,11-12,22-23H,2-3,6-10,13-20H2,(H,28,32)(H,29,33).
What are the key properties of N-[2-[[1-(cyclohexylcarbamoyl)cyclohexyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide?
N-[2-[[1-(cyclohexylcarbamoyl)cyclohexyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide has a molecular weight of 469.63 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(cyclohexylcarbamoyl)cyclohexyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 5027420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).