N-[(3-chloro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide

C12H16ClNO3 — CID 115140765

IUPACN-[(3-chloro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
SMILESCOc1ccc(CN(C)C(=O)C(C)O)cc1Cl
InChIInChI=1S/C12H16ClNO3/c1-8(15)12(16)14(2)7-9-4-5-11(17-3)10(13)6-9/h4-6,8,15H,7H2,1-3H3
InChIKeyZAIPXOVASPNZBZ-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.69
Rot. Bonds4

About N-[(3-chloro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide

N-[(3-chloro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide (PubChem CID 115140765) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
PubChem CID115140765
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
SMILESCOc1ccc(CN(C)C(=O)C(C)O)cc1Cl
InChIInChI=1S/C12H16ClNO3/c1-8(15)12(16)14(2)7-9-4-5-11(17-3)10(13)6-9/h4-6,8,15H,7H2,1-3H3
InChIKeyZAIPXOVASPNZBZ-UHFFFAOYSA-N
XLogP1.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[(3-chloro-4-methoxyphenyl)methyl]-1-methylurea
CID 115192735
N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 60628303
N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyano-N-methylacetamide
CID 82131783
(2S)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 28636215
2-[carboxymethyl-[(3-chloro-4-methoxyphenyl)methyl]amino]acetic acid
CID 65065887
(2S,3S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164051
(2S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61174257
1-(3-chloro-4-methoxyphenyl)-N-(chloromethyl)-N-methylmethanamine
CID 115263145
2-(2,4-dichlorophenoxy)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methylpropanamide
CID 4882099
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide
CID 43167904
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 64592034
2-hydroxy-N-[2-(4-methoxy-3-methylphenyl)ethyl]-N-methylpropanamide
CID 115141022

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide (CID 115140765) is N-[(3-chloro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide is COc1ccc(CN(C)C(=O)C(C)O)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide?
The InChIKey is ZAIPXOVASPNZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-8(15)12(16)14(2)7-9-4-5-11(17-3)10(13)6-9/h4-6,8,15H,7H2,1-3H3.
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide?
N-[(3-chloro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide has a molecular weight of 257.72 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide is sourced from PubChem (CID 115140765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).