3-(2,4-dimethylphenyl)-N-(3-hydroxy-4-methylpentyl)propanamide

C17H27NO2 — CID 111461043

IUPAC3-(2,4-dimethylphenyl)-N-(3-hydroxy-4-methylpentyl)propanamide
SMILESCc1ccc(CCC(=O)NCCC(O)C(C)C)c(C)c1
InChIInChI=1S/C17H27NO2/c1-12(2)16(19)9-10-18-17(20)8-7-15-6-5-13(3)11-14(15)4/h5-6,11-12,16,19H,7-10H2,1-4H3,(H,18,20)
InChIKeySUMDEPCCWBIGFH-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.76
Rot. Bonds7

About 3-(2,4-dimethylphenyl)-N-(3-hydroxy-4-methylpentyl)propanamide

3-(2,4-dimethylphenyl)-N-(3-hydroxy-4-methylpentyl)propanamide (PubChem CID 111461043) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-(3-hydroxy-4-methylpentyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-(3-hydroxy-4-methylpentyl)propanamide
PubChem CID111461043
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-(2,4-dimethylphenyl)-N-(3-hydroxy-4-methylpentyl)propanamide
SMILESCc1ccc(CCC(=O)NCCC(O)C(C)C)c(C)c1
InChIInChI=1S/C17H27NO2/c1-12(2)16(19)9-10-18-17(20)8-7-15-6-5-13(3)11-14(15)4/h5-6,11-12,16,19H,7-10H2,1-4H3,(H,18,20)
InChIKeySUMDEPCCWBIGFH-UHFFFAOYSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide
CID 119430140
3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430139
N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)propanamide
CID 119995938
N-[2-(2,4-dimethylphenyl)ethyl]-4-oxopentanamide
CID 115176935
2-bromo-N-[2-(2,4-dimethylphenyl)ethyl]acetamide
CID 82109034
3-(2,4-dimethylphenyl)propanehydrazide
CID 116843444
N'-[3-(2,4-dimethylphenyl)propanoyl]-3-methylbutanehydrazide
CID 37012024
4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide
CID 111970464
3-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18129621
3-(2,4-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 78866814
N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 120507266
N-[2-(2,4-dimethylphenyl)ethyl]-2-sulfanylacetamide
CID 115167356

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-(3-hydroxy-4-methylpentyl)propanamide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-(3-hydroxy-4-methylpentyl)propanamide (CID 111461043) is 3-(2,4-dimethylphenyl)-N-(3-hydroxy-4-methylpentyl)propanamide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-(3-hydroxy-4-methylpentyl)propanamide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-(3-hydroxy-4-methylpentyl)propanamide is Cc1ccc(CCC(=O)NCCC(O)C(C)C)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-(3-hydroxy-4-methylpentyl)propanamide?
The InChIKey is SUMDEPCCWBIGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)16(19)9-10-18-17(20)8-7-15-6-5-13(3)11-14(15)4/h5-6,11-12,16,19H,7-10H2,1-4H3,(H,18,20).
What are the key properties of 3-(2,4-dimethylphenyl)-N-(3-hydroxy-4-methylpentyl)propanamide?
3-(2,4-dimethylphenyl)-N-(3-hydroxy-4-methylpentyl)propanamide has a molecular weight of 277.41 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N-(3-hydroxy-4-methylpentyl)propanamide is sourced from PubChem (CID 111461043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).