4-(2-chlorophenoxy)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide

C18H21ClN2O3 — CID 52804898

IUPAC4-(2-chlorophenoxy)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide
SMILESCc1cc(C)c(CNC(=O)CCCOc2ccccc2Cl)c(=O)[nH]1
InChIInChI=1S/C18H21ClN2O3/c1-12-10-13(2)21-18(23)14(12)11-20-17(22)8-5-9-24-16-7-4-3-6-15(16)19/h3-4,6-7,10H,5,8-9,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZXQHBYHDMQZEBW-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.12
Rot. Bonds7

About 4-(2-chlorophenoxy)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide

4-(2-chlorophenoxy)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide (PubChem CID 52804898) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide
PubChem CID52804898
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name4-(2-chlorophenoxy)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide
SMILESCc1cc(C)c(CNC(=O)CCCOc2ccccc2Cl)c(=O)[nH]1
InChIInChI=1S/C18H21ClN2O3/c1-12-10-13(2)21-18(23)14(12)11-20-17(22)8-5-9-24-16-7-4-3-6-15(16)19/h3-4,6-7,10H,5,8-9,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZXQHBYHDMQZEBW-UHFFFAOYSA-N
XLogP3.12
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-chlorophenoxy)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide 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-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylacetamide
CID 71901607
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 27033472
N-(3-aminobutyl)-4-(2-chlorophenoxy)butanamide
CID 119499643
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31959852
5-[[4-(2-chlorophenoxy)butanoylamino]methyl]furan-2-carboxylic acid
CID 119245785
tert-butyl N-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-4-oxo-1-phenylbutyl]carbamate
CID 86891375
N-[(2-chlorophenyl)methyl]-3-(2-methylphenoxy)propanamide
CID 7973168
4-(2-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120654441
4-(2-chlorophenoxy)-N-[2-(ethylsulfonylamino)ethyl]butanamide
CID 108573011
2-[4-(2-chlorophenoxy)butanoylamino]butanoic acid
CID 119223409
4-[[4-(2-chlorophenoxy)butanoylamino]methyl]cyclohexane-1-carboxamide
CID 75534315
4-(2-chlorophenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]butanamide
CID 94345213

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide?
The IUPAC name of 4-(2-chlorophenoxy)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide (CID 52804898) is 4-(2-chlorophenoxy)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide.
What is the SMILES notation for 4-(2-chlorophenoxy)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide?
The canonical SMILES for 4-(2-chlorophenoxy)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide is Cc1cc(C)c(CNC(=O)CCCOc2ccccc2Cl)c(=O)[nH]1.
What is the InChIKey of 4-(2-chlorophenoxy)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide?
The InChIKey is ZXQHBYHDMQZEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-12-10-13(2)21-18(23)14(12)11-20-17(22)8-5-9-24-16-7-4-3-6-15(16)19/h3-4,6-7,10H,5,8-9,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 4-(2-chlorophenoxy)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide?
4-(2-chlorophenoxy)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide has a molecular weight of 348.83 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide is sourced from PubChem (CID 52804898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).