N-(4-chlorophenyl)-2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide

C18H25ClN4O3 — CID 4818875

IUPACN-(4-chlorophenyl)-2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)NC(=O)NC1CCCCC1)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H25ClN4O3/c1-23(11-16(24)20-15-9-7-13(19)8-10-15)12-17(25)22-18(26)21-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,20,24)(H2,21,22,25,26)
InChIKeyJIRLYANUSFNLAV-UHFFFAOYSA-N
MW380.88 g/mol
LogP2.37
Rot. Bonds6

About N-(4-chlorophenyl)-2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide

N-(4-chlorophenyl)-2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 4818875) has the molecular formula C18H25ClN4O3 and a molecular weight of 380.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
PubChem CID4818875
Molecular FormulaC18H25ClN4O3
Molecular Weight380.88 g/mol
Exact Mass380.16
IUPAC NameN-(4-chlorophenyl)-2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)NC(=O)NC1CCCCC1)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H25ClN4O3/c1-23(11-16(24)20-15-9-7-13(19)8-10-15)12-17(25)22-18(26)21-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,20,24)(H2,21,22,25,26)
InChIKeyJIRLYANUSFNLAV-UHFFFAOYSA-N
XLogP2.37
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(4-chlorophenyl)-2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide 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-(4-chlorophenyl)-2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide (CID 4818875) is N-(4-chlorophenyl)-2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide is CN(CC(=O)NC(=O)NC1CCCCC1)CC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is JIRLYANUSFNLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O3/c1-23(11-16(24)20-15-9-7-13(19)8-10-15)12-17(25)22-18(26)21-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,20,24)(H2,21,22,25,26).
What are the key properties of N-(4-chlorophenyl)-2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide?
N-(4-chlorophenyl)-2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 380.88 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 4818875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).