N-(3-hydroxy-2-methyl-3-phenylpropyl)propanamide

C13H19NO2 — CID 67678172

IUPACN-(3-hydroxy-2-methyl-3-phenylpropyl)propanamide
SMILESCCC(=O)NCC(C)C(O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-12(15)14-9-10(2)13(16)11-7-5-4-6-8-11/h4-8,10,13,16H,3,9H2,1-2H3,(H,14,15)
InChIKeySJZFHXPHNFKPBU-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.88
Rot. Bonds5

About N-(3-hydroxy-2-methyl-3-phenylpropyl)propanamide

N-(3-hydroxy-2-methyl-3-phenylpropyl)propanamide (PubChem CID 67678172) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(3-hydroxy-2-methyl-3-phenylpropyl)propanamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methyl-3-phenylpropyl)propanamide
PubChem CID67678172
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(3-hydroxy-2-methyl-3-phenylpropyl)propanamide
SMILESCCC(=O)NCC(C)C(O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-12(15)14-9-10(2)13(16)11-7-5-4-6-8-11/h4-8,10,13,16H,3,9H2,1-2H3,(H,14,15)
InChIKeySJZFHXPHNFKPBU-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropyl]-7-methyloct-4-enamide
CID 54139029
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221
N'-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N'-methylpropanehydrazide
CID 46900882
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684
N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]propanamide
CID 20616558
2-ethoxy-N-(2-phenylpropyl)acetamide
CID 60637427
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
N-[4-(dimethylamino)-2,3-dimethylbutyl]propanamide
CID 166075465
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]octanamide
CID 101078871
N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]tetradecanamide
CID 71684357
3-amino-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43500072
3-(4-methylpentanoylamino)-2-phenylpropanoic acid
CID 62883511

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methyl-3-phenylpropyl)propanamide?
The IUPAC name of N-(3-hydroxy-2-methyl-3-phenylpropyl)propanamide (CID 67678172) is N-(3-hydroxy-2-methyl-3-phenylpropyl)propanamide.
What is the SMILES notation for N-(3-hydroxy-2-methyl-3-phenylpropyl)propanamide?
The canonical SMILES for N-(3-hydroxy-2-methyl-3-phenylpropyl)propanamide is CCC(=O)NCC(C)C(O)c1ccccc1.
What is the InChIKey of N-(3-hydroxy-2-methyl-3-phenylpropyl)propanamide?
The InChIKey is SJZFHXPHNFKPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-12(15)14-9-10(2)13(16)11-7-5-4-6-8-11/h4-8,10,13,16H,3,9H2,1-2H3,(H,14,15).
What are the key properties of N-(3-hydroxy-2-methyl-3-phenylpropyl)propanamide?
N-(3-hydroxy-2-methyl-3-phenylpropyl)propanamide has a molecular weight of 221.30 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methyl-3-phenylpropyl)propanamide is sourced from PubChem (CID 67678172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).