N-(2,4-dimethylpentan-3-yl)-3-(4-hydroxyphenyl)propanamide

C16H25NO2 — CID 177141881

IUPACN-(2,4-dimethylpentan-3-yl)-3-(4-hydroxyphenyl)propanamide
SMILESCC(C)C(NC(=O)CCc1ccc(O)cc1)C(C)C
InChIInChI=1S/C16H25NO2/c1-11(2)16(12(3)4)17-15(19)10-7-13-5-8-14(18)9-6-13/h5-6,8-9,11-12,16,18H,7,10H2,1-4H3,(H,17,19)
InChIKeyYNYXGVOXVRCZCN-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.12
Rot. Bonds6

About N-(2,4-dimethylpentan-3-yl)-3-(4-hydroxyphenyl)propanamide

N-(2,4-dimethylpentan-3-yl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 177141881) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(2,4-dimethylpentan-3-yl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylpentan-3-yl)-3-(4-hydroxyphenyl)propanamide
PubChem CID177141881
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(2,4-dimethylpentan-3-yl)-3-(4-hydroxyphenyl)propanamide
SMILESCC(C)C(NC(=O)CCc1ccc(O)cc1)C(C)C
InChIInChI=1S/C16H25NO2/c1-11(2)16(12(3)4)17-15(19)10-7-13-5-8-14(18)9-6-13/h5-6,8-9,11-12,16,18H,7,10H2,1-4H3,(H,17,19)
InChIKeyYNYXGVOXVRCZCN-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylpentan-3-yl)-3-(4-methoxy-3-methylphenyl)propanamide
CID 100749422
2-[3-(4-hydroxyphenyl)propanoylamino]-N,3-dimethylpentanamide
CID 91317315
3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)propanoylamino]propanamide
CID 71080092
N-[1-(2,4-difluorophenyl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 177351939
3-(4-hydroxyphenyl)-N-(4-methylpentyl)propanamide
CID 143274718
N-(4-hydroxyphenyl)-3-(4-propan-2-ylphenyl)propanamide
CID 56659537
4-hydroxy-1-(4-hydroxyphenyl)pentan-3-one
CID 66769730
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(3-phenylpropanoylamino)propanoyl]amino]-3-methylbutanoic acid
CID 24984495
3-(4-hydroxyphenyl)propanoic acid;methane
CID 70425679
3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 94665559
3-(4-hydroxyphenyl)-N-[1-(2-methylpropoxy)-3-phenylpropan-2-yl]propanamide
CID 58668673
3-(4-hydroxyphenyl)-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]propanamide
CID 125177563

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpentan-3-yl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of N-(2,4-dimethylpentan-3-yl)-3-(4-hydroxyphenyl)propanamide (CID 177141881) is N-(2,4-dimethylpentan-3-yl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for N-(2,4-dimethylpentan-3-yl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for N-(2,4-dimethylpentan-3-yl)-3-(4-hydroxyphenyl)propanamide is CC(C)C(NC(=O)CCc1ccc(O)cc1)C(C)C.
What is the InChIKey of N-(2,4-dimethylpentan-3-yl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is YNYXGVOXVRCZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)16(12(3)4)17-15(19)10-7-13-5-8-14(18)9-6-13/h5-6,8-9,11-12,16,18H,7,10H2,1-4H3,(H,17,19).
What are the key properties of N-(2,4-dimethylpentan-3-yl)-3-(4-hydroxyphenyl)propanamide?
N-(2,4-dimethylpentan-3-yl)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 263.38 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpentan-3-yl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 177141881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).