N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-3-hydroxypropanamide

C12H16ClNO3 — CID 115139022

IUPACN-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-3-hydroxypropanamide
SMILESCOc1cc(C)c(Cl)cc1CNC(=O)CCO
InChIInChI=1S/C12H16ClNO3/c1-8-5-11(17-2)9(6-10(8)13)7-14-12(16)3-4-15/h5-6,15H,3-4,7H2,1-2H3,(H,14,16)
InChIKeyVZKXHEOPUCWQOA-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.66
Rot. Bonds5

About N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-3-hydroxypropanamide

N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-3-hydroxypropanamide (PubChem CID 115139022) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-3-hydroxypropanamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-3-hydroxypropanamide
PubChem CID115139022
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC NameN-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-3-hydroxypropanamide
SMILESCOc1cc(C)c(Cl)cc1CNC(=O)CCO
InChIInChI=1S/C12H16ClNO3/c1-8-5-11(17-2)9(6-10(8)13)7-14-12(16)3-4-15/h5-6,15H,3-4,7H2,1-2H3,(H,14,16)
InChIKeyVZKXHEOPUCWQOA-UHFFFAOYSA-N
XLogP1.66
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-[(2-methoxy-5-methylphenyl)methyl]propanamide
CID 115138980
2-[(5-chloro-2-methoxy-4-methylphenyl)methylamino]ethanol
CID 96660011
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-3-hydroxypropanamide
CID 115139037
4-[(5-chloro-2-methoxy-4-methylphenyl)methylamino]butan-2-one
CID 115235659
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]furan-2-carboxamide
CID 110781838
2-[(5-chloro-2-methoxy-4-methylphenyl)methylamino]ethanethiol
CID 115223946
methyl 4-(5-chloro-2-methoxy-4-methylphenyl)butanoate
CID 98784589
3-hydroxy-N-[(2-methoxy-4,6-dimethylphenyl)methyl]propanamide
CID 115139063
1-(5-chloro-2-methoxy-4-methylphenyl)-N-(chloromethyl)methanamine
CID 115263017
N-[(2,5-dimethoxy-4-methylphenyl)methyl]carbamoyl chloride
CID 115194658
[(5-chloro-2-methoxy-4-methylphenyl)methylamino]methanethiol
CID 115227920
3-hydroxy-N-[(4-methoxy-3,5-dimethylphenyl)methyl]propanamide
CID 115139094

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-3-hydroxypropanamide?
The IUPAC name of N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-3-hydroxypropanamide (CID 115139022) is N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-3-hydroxypropanamide.
What is the SMILES notation for N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-3-hydroxypropanamide?
The canonical SMILES for N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-3-hydroxypropanamide is COc1cc(C)c(Cl)cc1CNC(=O)CCO.
What is the InChIKey of N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-3-hydroxypropanamide?
The InChIKey is VZKXHEOPUCWQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-8-5-11(17-2)9(6-10(8)13)7-14-12(16)3-4-15/h5-6,15H,3-4,7H2,1-2H3,(H,14,16).
What are the key properties of N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-3-hydroxypropanamide?
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-3-hydroxypropanamide has a molecular weight of 257.72 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-3-hydroxypropanamide is sourced from PubChem (CID 115139022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).