3-(4-ethylphenyl)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide

C16H25NO2 — CID 64557976

IUPAC3-(4-ethylphenyl)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
SMILESCCc1ccc(CCC(=O)NC(C)(CC)CO)cc1
InChIInChI=1S/C16H25NO2/c1-4-13-6-8-14(9-7-13)10-11-15(19)17-16(3,5-2)12-18/h6-9,18H,4-5,10-12H2,1-3H3,(H,17,19)
InChIKeyPFRLTVAUMQTGIP-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.46
Rot. Bonds7

About 3-(4-ethylphenyl)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide

3-(4-ethylphenyl)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide (PubChem CID 64557976) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
PubChem CID64557976
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-(4-ethylphenyl)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
SMILESCCc1ccc(CCC(=O)NC(C)(CC)CO)cc1
InChIInChI=1S/C16H25NO2/c1-4-13-6-8-14(9-7-13)10-11-15(19)17-16(3,5-2)12-18/h6-9,18H,4-5,10-12H2,1-3H3,(H,17,19)
InChIKeyPFRLTVAUMQTGIP-UHFFFAOYSA-N
XLogP2.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)propanamide
CID 64558137
3-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 103772275
N-(3-amino-2,2-dimethylpropyl)-3-(4-ethylphenyl)propanamide
CID 115271070
4-(hydroxymethyl)-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64558344
N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 43390565
(2S)-2-[3-(4-ethylphenyl)propanoylamino]-3,3-dimethylbutanoic acid
CID 61144373
N-[3-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
CID 64555440
3-(4-bromophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
CID 64558336
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
CID 64556156
3-(4-ethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920079
N-(1-hydroxy-2-methylbutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 64557390
3-methyl-3-(3-thiophen-3-ylpropanoylamino)pentanoic acid
CID 75482441

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide?
The IUPAC name of 3-(4-ethylphenyl)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide (CID 64557976) is 3-(4-ethylphenyl)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 3-(4-ethylphenyl)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide?
The canonical SMILES for 3-(4-ethylphenyl)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide is CCc1ccc(CCC(=O)NC(C)(CC)CO)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide?
The InChIKey is PFRLTVAUMQTGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-13-6-8-14(9-7-13)10-11-15(19)17-16(3,5-2)12-18/h6-9,18H,4-5,10-12H2,1-3H3,(H,17,19).
What are the key properties of 3-(4-ethylphenyl)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide?
3-(4-ethylphenyl)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide has a molecular weight of 263.38 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 64557976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).