N-[3-(hydroxymethyl)pentan-3-yl]-3-(3-methylphenyl)propanamide

C16H25NO2 — CID 62521751

IUPACN-[3-(hydroxymethyl)pentan-3-yl]-3-(3-methylphenyl)propanamide
SMILESCCC(CC)(CO)NC(=O)CCc1cccc(C)c1
InChIInChI=1S/C16H25NO2/c1-4-16(5-2,12-18)17-15(19)10-9-14-8-6-7-13(3)11-14/h6-8,11,18H,4-5,9-10,12H2,1-3H3,(H,17,19)
InChIKeySLMOZVOPMCGORO-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.59
Rot. Bonds7

About N-[3-(hydroxymethyl)pentan-3-yl]-3-(3-methylphenyl)propanamide

N-[3-(hydroxymethyl)pentan-3-yl]-3-(3-methylphenyl)propanamide (PubChem CID 62521751) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]-3-(3-methylphenyl)propanamide
PubChem CID62521751
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]-3-(3-methylphenyl)propanamide
SMILESCCC(CC)(CO)NC(=O)CCc1cccc(C)c1
InChIInChI=1S/C16H25NO2/c1-4-16(5-2,12-18)17-15(19)10-9-14-8-6-7-13(3)11-14/h6-8,11,18H,4-5,9-10,12H2,1-3H3,(H,17,19)
InChIKeySLMOZVOPMCGORO-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-bromo-2-(bromomethyl)butan-2-yl]-3-(3-methylphenyl)propanamide
CID 107867835
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-(3-methylphenyl)propanamide
CID 62366573
3-(1,3-benzodioxol-5-yl)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
CID 62520472
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(3-methylphenyl)propanamide
CID 76941527
3-(3-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82726212
N-[3-(hydroxymethyl)pentan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 62520655
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(3-methylphenyl)propanamide
CID 103800925
N-(4-hydroxybutyl)-3-(3-methylphenyl)propanamide
CID 106843245
N-(1-hydroxypentan-3-yl)-3-(3-methylphenyl)propanamide
CID 115767191
N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 103602596
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methylphenyl)propanamide
CID 115362508
N-(2,6-difluorophenyl)-3-(3-methylphenyl)propanamide
CID 51277484

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-3-(3-methylphenyl)propanamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-3-(3-methylphenyl)propanamide (CID 62521751) is N-[3-(hydroxymethyl)pentan-3-yl]-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]-3-(3-methylphenyl)propanamide is CCC(CC)(CO)NC(=O)CCc1cccc(C)c1.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]-3-(3-methylphenyl)propanamide?
The InChIKey is SLMOZVOPMCGORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-16(5-2,12-18)17-15(19)10-9-14-8-6-7-13(3)11-14/h6-8,11,18H,4-5,9-10,12H2,1-3H3,(H,17,19).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]-3-(3-methylphenyl)propanamide?
N-[3-(hydroxymethyl)pentan-3-yl]-3-(3-methylphenyl)propanamide has a molecular weight of 263.38 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)pentan-3-yl]-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 62521751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).