3-hydroxy-N-methyl-N-[(4-propylphenyl)methyl]propanamide

C14H21NO2 — CID 115139143

IUPAC3-hydroxy-N-methyl-N-[(4-propylphenyl)methyl]propanamide
SMILESCCCc1ccc(CN(C)C(=O)CCO)cc1
InChIInChI=1S/C14H21NO2/c1-3-4-12-5-7-13(8-6-12)11-15(2)14(17)9-10-16/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyOELXKRRFOCRATF-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.98
Rot. Bonds6

About 3-hydroxy-N-methyl-N-[(4-propylphenyl)methyl]propanamide

3-hydroxy-N-methyl-N-[(4-propylphenyl)methyl]propanamide (PubChem CID 115139143) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-N-[(4-propylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-N-[(4-propylphenyl)methyl]propanamide
PubChem CID115139143
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-hydroxy-N-methyl-N-[(4-propylphenyl)methyl]propanamide
SMILESCCCc1ccc(CN(C)C(=O)CCO)cc1
InChIInChI=1S/C14H21NO2/c1-3-4-12-5-7-13(8-6-12)11-15(2)14(17)9-10-16/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyOELXKRRFOCRATF-UHFFFAOYSA-N
XLogP1.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 115139196
N-[(4-butan-2-ylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139144
N-[(4-ethylphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82126542
methyl N-methyl-N-[(4-propylphenyl)methyl]carbamate
CID 115190601
3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 100590851
N-[(3,4-difluorophenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139161
2-amino-N,2-dimethyl-N-[(4-propylphenyl)methyl]propanamide
CID 115152710
N-[(4-ethoxy-3-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139170
N-[(4-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79017080
N-benzyl-N-methylpentanamide
CID 4629611
N-[(4-cyanophenyl)methyl]-N-methylbutanamide
CID 60737799
N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139194

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-N-[(4-propylphenyl)methyl]propanamide?
The IUPAC name of 3-hydroxy-N-methyl-N-[(4-propylphenyl)methyl]propanamide (CID 115139143) is 3-hydroxy-N-methyl-N-[(4-propylphenyl)methyl]propanamide.
What is the SMILES notation for 3-hydroxy-N-methyl-N-[(4-propylphenyl)methyl]propanamide?
The canonical SMILES for 3-hydroxy-N-methyl-N-[(4-propylphenyl)methyl]propanamide is CCCc1ccc(CN(C)C(=O)CCO)cc1.
What is the InChIKey of 3-hydroxy-N-methyl-N-[(4-propylphenyl)methyl]propanamide?
The InChIKey is OELXKRRFOCRATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-4-12-5-7-13(8-6-12)11-15(2)14(17)9-10-16/h5-8,16H,3-4,9-11H2,1-2H3.
What are the key properties of 3-hydroxy-N-methyl-N-[(4-propylphenyl)methyl]propanamide?
3-hydroxy-N-methyl-N-[(4-propylphenyl)methyl]propanamide has a molecular weight of 235.33 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methyl-N-[(4-propylphenyl)methyl]propanamide is sourced from PubChem (CID 115139143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).