N-[(3-hydroxyphenyl)methyl]-3,4,4-trimethylpentanamide

C15H23NO2 — CID 63821825

IUPACN-[(3-hydroxyphenyl)methyl]-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)NCc1cccc(O)c1)C(C)(C)C
InChIInChI=1S/C15H23NO2/c1-11(15(2,3)4)8-14(18)16-10-12-6-5-7-13(17)9-12/h5-7,9,11,17H,8,10H2,1-4H3,(H,16,18)
InChIKeyDXCBBCAWEDBRTE-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.08
Rot. Bonds4

About N-[(3-hydroxyphenyl)methyl]-3,4,4-trimethylpentanamide

N-[(3-hydroxyphenyl)methyl]-3,4,4-trimethylpentanamide (PubChem CID 63821825) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-3,4,4-trimethylpentanamide
PubChem CID63821825
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[(3-hydroxyphenyl)methyl]-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)NCc1cccc(O)c1)C(C)(C)C
InChIInChI=1S/C15H23NO2/c1-11(15(2,3)4)8-14(18)16-10-12-6-5-7-13(17)9-12/h5-7,9,11,17H,8,10H2,1-4H3,(H,16,18)
InChIKeyDXCBBCAWEDBRTE-UHFFFAOYSA-N
XLogP3.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-hydroxyphenyl)methyl]-2-propan-2-yloxyacetamide
CID 112686889
2-tert-butylsulfanyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 54904297
3,4,4-trimethyl-N-[3-(methylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119440969
(3S)-3,4,4-trimethyl-N-(2-phenylethyl)pentanamide
CID 97019359
N-[(3-hydroxyphenyl)methyl]hexanamide
CID 61017300
N-[(3-ethylphenyl)methyl]-3-methylbutanamide
CID 70824104
N-[(3-hydroxyphenyl)methyl]-2-methyl-2-phenylpropanamide
CID 61018708
2-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 61150791
2-(4-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide
CID 47292141
6-[(3-hydroxyphenyl)methylamino]-6-oxohexanoic acid
CID 110483460
N-[(3-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 47292082
N-[(3-hydroxyphenyl)methyl]-4-propan-2-ylbenzamide
CID 47292127

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]-3,4,4-trimethylpentanamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-3,4,4-trimethylpentanamide (CID 63821825) is N-[(3-hydroxyphenyl)methyl]-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-3,4,4-trimethylpentanamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-3,4,4-trimethylpentanamide is CC(CC(=O)NCc1cccc(O)c1)C(C)(C)C.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-3,4,4-trimethylpentanamide?
The InChIKey is DXCBBCAWEDBRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(15(2,3)4)8-14(18)16-10-12-6-5-7-13(17)9-12/h5-7,9,11,17H,8,10H2,1-4H3,(H,16,18).
What are the key properties of N-[(3-hydroxyphenyl)methyl]-3,4,4-trimethylpentanamide?
N-[(3-hydroxyphenyl)methyl]-3,4,4-trimethylpentanamide has a molecular weight of 249.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]-3,4,4-trimethylpentanamide is sourced from PubChem (CID 63821825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).