3-(3-chloro-4-methylphenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide

C15H22ClNO3 — CID 115902357

IUPAC3-(3-chloro-4-methylphenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
SMILESCOCCN(CCO)C(=O)CCc1ccc(C)c(Cl)c1
InChIInChI=1S/C15H22ClNO3/c1-12-3-4-13(11-14(12)16)5-6-15(19)17(7-9-18)8-10-20-2/h3-4,11,18H,5-10H2,1-2H3
InChIKeyJSXNPWZJSNZTMA-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.05
Rot. Bonds8

About 3-(3-chloro-4-methylphenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide

3-(3-chloro-4-methylphenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide (PubChem CID 115902357) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
PubChem CID115902357
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name3-(3-chloro-4-methylphenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
SMILESCOCCN(CCO)C(=O)CCc1ccc(C)c(Cl)c1
InChIInChI=1S/C15H22ClNO3/c1-12-3-4-13(11-14(12)16)5-6-15(19)17(7-9-18)8-10-20-2/h3-4,11,18H,5-10H2,1-2H3
InChIKeyJSXNPWZJSNZTMA-UHFFFAOYSA-N
XLogP2.05
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-4-methylphenyl)-N-methoxy-N-methylpropanamide
CID 55027623
3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 115902164
3-(3-chlorophenyl)-N,N-bis(2-methoxyethyl)propanamide
CID 86913073
2-[3-(3-chloro-4-methylphenyl)propanoyl-propylamino]acetic acid
CID 61007519
N,N-bis(2-methoxyethyl)-3-(3-methylphenyl)propanamide
CID 86913071
methyl 2-[3-(3-chloro-4-methylphenyl)propanoyl-methylamino]acetate
CID 43409176
4-(3,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)butanamide
CID 78897631
2-[3-(3-chloro-4-methylphenyl)propanoyl-methylamino]-2-methylpropanoic acid
CID 62818850
3-(furan-2-yl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 115902257
2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115772778
N-(2-hydroxyethyl)-3-(4-methylphenyl)-N-propylpropanamide
CID 60702090
3,4-dichloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772784

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide (CID 115902357) is 3-(3-chloro-4-methylphenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide is COCCN(CCO)C(=O)CCc1ccc(C)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide?
The InChIKey is JSXNPWZJSNZTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-12-3-4-13(11-14(12)16)5-6-15(19)17(7-9-18)8-10-20-2/h3-4,11,18H,5-10H2,1-2H3.
What are the key properties of 3-(3-chloro-4-methylphenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide?
3-(3-chloro-4-methylphenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide has a molecular weight of 299.80 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 115902357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).