N-[2-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide

C13H19NO2 — CID 60653327

IUPACN-[2-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccccc1CO
InChIInChI=1S/C13H19NO2/c1-13(2,3)8-12(16)14-11-7-5-4-6-10(11)9-15/h4-7,15H,8-9H2,1-3H3,(H,14,16)
InChIKeyGSORDJHURPLUBI-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.55
Rot. Bonds3

About N-[2-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide

N-[2-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide (PubChem CID 60653327) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
PubChem CID60653327
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[2-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccccc1CO
InChIInChI=1S/C13H19NO2/c1-13(2,3)8-12(16)14-11-7-5-4-6-10(11)9-15/h4-7,15H,8-9H2,1-3H3,(H,14,16)
InChIKeyGSORDJHURPLUBI-UHFFFAOYSA-N
XLogP2.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N-[2-(hydroxymethyl)phenyl]acetamide
CID 91162619
N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
CID 142950008
3-chloro-N-[2-(hydroxymethyl)phenyl]-2,2-dimethylpropanamide
CID 63680184
4-(2-ethylanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 65297764
2-chloro-N-[2-(hydroxymethyl)phenyl]propanamide
CID 43700276
N-[2-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide
CID 52896199
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 60803097
N-[2-[(2S)-butan-2-yl]phenyl]-3,3-dimethylbutanamide
CID 94840429
2,2-difluoro-N-[2-(hydroxymethyl)phenyl]acetamide
CID 103513898
3-(4-ethylphenyl)-N-[2-(hydroxymethyl)phenyl]propanamide
CID 61497838
3-cyclopentyl-N-[2-(hydroxymethyl)phenyl]propanamide
CID 60653813
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide (CID 60653327) is N-[2-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1ccccc1CO.
What is the InChIKey of N-[2-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide?
The InChIKey is GSORDJHURPLUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(2,3)8-12(16)14-11-7-5-4-6-10(11)9-15/h4-7,15H,8-9H2,1-3H3,(H,14,16).
What are the key properties of N-[2-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide?
N-[2-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide has a molecular weight of 221.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 60653327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).