N-(3-hydroxy-3-phenylpropyl)-N-methylacetamide

C12H17NO2 — CID 59648964

IUPACN-(3-hydroxy-3-phenylpropyl)-N-methylacetamide
SMILESCC(=O)N(C)CCC(O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-10(14)13(2)9-8-12(15)11-6-4-3-5-7-11/h3-7,12,15H,8-9H2,1-2H3
InChIKeyHUAYCOKNDDAEEU-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.59
Rot. Bonds4

About N-(3-hydroxy-3-phenylpropyl)-N-methylacetamide

N-(3-hydroxy-3-phenylpropyl)-N-methylacetamide (PubChem CID 59648964) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-(3-hydroxy-3-phenylpropyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-phenylpropyl)-N-methylacetamide
PubChem CID59648964
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-(3-hydroxy-3-phenylpropyl)-N-methylacetamide
SMILESCC(=O)N(C)CCC(O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-10(14)13(2)9-8-12(15)11-6-4-3-5-7-11/h3-7,12,15H,8-9H2,1-2H3
InChIKeyHUAYCOKNDDAEEU-UHFFFAOYSA-N
XLogP1.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate
CID 19753336
N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-N-methylacetamide
CID 130473847
N-(2-hydroxy-2-phenylethyl)-N-methylacetamide;propane;tungsten
CID 59694940
3-[2-(dimethylamino)ethyl-methylamino]-1-phenylpropan-1-ol
CID 63700698
3-[methyl(2-methylpropyl)amino]-1-phenylpropan-1-ol
CID 62613916
N-methyl-N-[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]acetamide
CID 124636638
3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol
CID 62612269
1-[(3R)-3-hydroxy-3-phenylpropyl]-1-methyl-3-(3-pyrrol-1-ylpropyl)urea
CID 125445842
N-[(3R)-3-hydroxy-3-phenylpropyl]-N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 95119417
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-phenylpropan-1-ol
CID 11347068
3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
CID 62611608

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-phenylpropyl)-N-methylacetamide?
The IUPAC name of N-(3-hydroxy-3-phenylpropyl)-N-methylacetamide (CID 59648964) is N-(3-hydroxy-3-phenylpropyl)-N-methylacetamide.
What is the SMILES notation for N-(3-hydroxy-3-phenylpropyl)-N-methylacetamide?
The canonical SMILES for N-(3-hydroxy-3-phenylpropyl)-N-methylacetamide is CC(=O)N(C)CCC(O)c1ccccc1.
What is the InChIKey of N-(3-hydroxy-3-phenylpropyl)-N-methylacetamide?
The InChIKey is HUAYCOKNDDAEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10(14)13(2)9-8-12(15)11-6-4-3-5-7-11/h3-7,12,15H,8-9H2,1-2H3.
What are the key properties of N-(3-hydroxy-3-phenylpropyl)-N-methylacetamide?
N-(3-hydroxy-3-phenylpropyl)-N-methylacetamide has a molecular weight of 207.27 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-phenylpropyl)-N-methylacetamide is sourced from PubChem (CID 59648964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).