N-(4-chloro-2,5-dimethoxyphenyl)-2-(cyclohexylcarbamoylamino)acetamide

C17H24ClN3O4 — CID 113001569

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-(cyclohexylcarbamoylamino)acetamide
SMILESCOc1cc(NC(=O)CNC(=O)NC2CCCCC2)c(OC)cc1Cl
InChIInChI=1S/C17H24ClN3O4/c1-24-14-9-13(15(25-2)8-12(14)18)21-16(22)10-19-17(23)20-11-6-4-3-5-7-11/h8-9,11H,3-7,10H2,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeyBWQVBBWKKYNWAN-UHFFFAOYSA-N
MW369.85 g/mol
LogP2.93
Rot. Bonds6

About N-(4-chloro-2,5-dimethoxyphenyl)-2-(cyclohexylcarbamoylamino)acetamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-(cyclohexylcarbamoylamino)acetamide (PubChem CID 113001569) has the molecular formula C17H24ClN3O4 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-(cyclohexylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(cyclohexylcarbamoylamino)acetamide
PubChem CID113001569
Molecular FormulaC17H24ClN3O4
Molecular Weight369.85 g/mol
Exact Mass369.15
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(cyclohexylcarbamoylamino)acetamide
SMILESCOc1cc(NC(=O)CNC(=O)NC2CCCCC2)c(OC)cc1Cl
InChIInChI=1S/C17H24ClN3O4/c1-24-14-9-13(15(25-2)8-12(14)18)21-16(22)10-19-17(23)20-11-6-4-3-5-7-11/h8-9,11H,3-7,10H2,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeyBWQVBBWKKYNWAN-UHFFFAOYSA-N
XLogP2.93
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(4-chloro-2,5-dimethoxyphenyl)-2-(cyclohexylcarbamoylamino)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N'-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptyloxamide
CID 108530972
2-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 110687101
2-(cyclohexylcarbamoylamino)-N-(3,4-dimethoxyphenyl)acetamide
CID 112999302
2-(cyclohexylcarbamoylamino)-N-(2,4-dichlorophenyl)acetamide
CID 113001281
1-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]-3-cyclopentylurea
CID 110775836
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]butanamide
CID 113001547
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 113001550
2-[acetyl(cyclohexyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 113159589
2-[(2-tert-butylcyclohexyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 56542989
2-(cyclohexylcarbamoylamino)-N-(2,4-dimethylphenyl)acetamide
CID 112996389
2-(cyclohexylcarbamoylamino)-N-(2-ethoxyphenyl)acetamide
CID 112998805
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 113001558

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(cyclohexylcarbamoylamino)acetamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(cyclohexylcarbamoylamino)acetamide (CID 113001569) is N-(4-chloro-2,5-dimethoxyphenyl)-2-(cyclohexylcarbamoylamino)acetamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-(cyclohexylcarbamoylamino)acetamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-(cyclohexylcarbamoylamino)acetamide is COc1cc(NC(=O)CNC(=O)NC2CCCCC2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-(cyclohexylcarbamoylamino)acetamide?
The InChIKey is BWQVBBWKKYNWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O4/c1-24-14-9-13(15(25-2)8-12(14)18)21-16(22)10-19-17(23)20-11-6-4-3-5-7-11/h8-9,11H,3-7,10H2,1-2H3,(H,21,22)(H2,19,20,23).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-(cyclohexylcarbamoylamino)acetamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-(cyclohexylcarbamoylamino)acetamide has a molecular weight of 369.85 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-(cyclohexylcarbamoylamino)acetamide is sourced from PubChem (CID 113001569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).