N-[2-(4-chlorophenyl)ethyl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide

C17H20ClN3O2 — CID 71914392

IUPACN-[2-(4-chlorophenyl)ethyl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O2/c1-11-15(12(2)21-17(23)20-11)7-8-16(22)19-10-9-13-3-5-14(18)6-4-13/h3-6H,7-10H2,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyCPZZQQHPVNHLAB-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.33
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide

N-[2-(4-chlorophenyl)ethyl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 71914392) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
PubChem CID71914392
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O2/c1-11-15(12(2)21-17(23)20-11)7-8-16(22)19-10-9-13-3-5-14(18)6-4-13/h3-6H,7-10H2,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyCPZZQQHPVNHLAB-UHFFFAOYSA-N
XLogP2.33
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-chlorophenyl)ethyl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide 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

3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenyl)propyl]propanamide
CID 131891594
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide
CID 131939568
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide
CID 90647550
N-(1-benzothiophen-5-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
CID 131894725
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide
CID 135587917
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)propanamide
CID 118777156
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
N-[2-(4-chlorophenyl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 20950837
N-[2-(1-benzylpiperidin-2-yl)ethyl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
CID 131936710
N-[2-(4-chlorophenyl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853491
N-[2-(4-chlorophenyl)ethyl]-3-[2-(2,4-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 46255757
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide
CID 30865434

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide (CID 71914392) is N-[2-(4-chlorophenyl)ethyl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide is Cc1nc(=O)[nH]c(C)c1CCC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is CPZZQQHPVNHLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-11-15(12(2)21-17(23)20-11)7-8-16(22)19-10-9-13-3-5-14(18)6-4-13/h3-6H,7-10H2,1-2H3,(H,19,22)(H,20,21,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide?
N-[2-(4-chlorophenyl)ethyl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 333.82 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 71914392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).