3-(2,4-dimethylphenyl)-N-(3-hydroxybutyl)-N-methylpropanamide

C16H25NO2 — CID 111695476

IUPAC3-(2,4-dimethylphenyl)-N-(3-hydroxybutyl)-N-methylpropanamide
SMILESCc1ccc(CCC(=O)N(C)CCC(C)O)c(C)c1
InChIInChI=1S/C16H25NO2/c1-12-5-6-15(13(2)11-12)7-8-16(19)17(4)10-9-14(3)18/h5-6,11,14,18H,7-10H2,1-4H3
InChIKeyOEMHRAZXCKPRBN-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.47
Rot. Bonds6

About 3-(2,4-dimethylphenyl)-N-(3-hydroxybutyl)-N-methylpropanamide

3-(2,4-dimethylphenyl)-N-(3-hydroxybutyl)-N-methylpropanamide (PubChem CID 111695476) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-(3-hydroxybutyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-(3-hydroxybutyl)-N-methylpropanamide
PubChem CID111695476
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-(2,4-dimethylphenyl)-N-(3-hydroxybutyl)-N-methylpropanamide
SMILESCc1ccc(CCC(=O)N(C)CCC(C)O)c(C)c1
InChIInChI=1S/C16H25NO2/c1-12-5-6-15(13(2)11-12)7-8-16(19)17(4)10-9-14(3)18/h5-6,11,14,18H,7-10H2,1-4H3
InChIKeyOEMHRAZXCKPRBN-UHFFFAOYSA-N
XLogP2.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-[3-(2,4-dimethylphenyl)propanoyl-methylamino]-2-methylpropanoic acid
CID 97324500
N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-N-methylpropanamide
CID 115272486
3-(2-chlorophenyl)-N-(3-hydroxybutyl)-N-methylpropanamide
CID 115673311
2-[3-(2,4-dimethylphenyl)propanoyl-methylamino]propanoic acid
CID 119209194
N-(3-hydroxybutyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 115691597
4-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N,3-dimethylbutanamide
CID 115156481
N-(3-hydroxybutyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 111695400
N-[2-(2,4-dimethylphenyl)ethyl]-N-methyl-3-oxobutanamide
CID 115176598
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
3-(2,4-dimethylphenyl)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpropanamide
CID 111695243
2-(2,4-dimethylphenyl)ethyl-methylcarbamic acid
CID 115171227
6-(2,4-dimethylphenyl)-2-methylhexan-3-one
CID 83928031

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-(3-hydroxybutyl)-N-methylpropanamide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-(3-hydroxybutyl)-N-methylpropanamide (CID 111695476) is 3-(2,4-dimethylphenyl)-N-(3-hydroxybutyl)-N-methylpropanamide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-(3-hydroxybutyl)-N-methylpropanamide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-(3-hydroxybutyl)-N-methylpropanamide is Cc1ccc(CCC(=O)N(C)CCC(C)O)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-(3-hydroxybutyl)-N-methylpropanamide?
The InChIKey is OEMHRAZXCKPRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-5-6-15(13(2)11-12)7-8-16(19)17(4)10-9-14(3)18/h5-6,11,14,18H,7-10H2,1-4H3.
What are the key properties of 3-(2,4-dimethylphenyl)-N-(3-hydroxybutyl)-N-methylpropanamide?
3-(2,4-dimethylphenyl)-N-(3-hydroxybutyl)-N-methylpropanamide has a molecular weight of 263.38 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N-(3-hydroxybutyl)-N-methylpropanamide is sourced from PubChem (CID 111695476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).