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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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).