N-[2-(1-hydroxyethyl)phenyl]-2,2-dimethylbutanamide

C14H21NO2 — CID 55103349

IUPACN-[2-(1-hydroxyethyl)phenyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccccc1C(C)O
InChIInChI=1S/C14H21NO2/c1-5-14(3,4)13(17)15-12-9-7-6-8-11(12)10(2)16/h6-10,16H,5H2,1-4H3,(H,15,17)
InChIKeyGVXARBGGZSZJAK-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.11
Rot. Bonds4

About N-[2-(1-hydroxyethyl)phenyl]-2,2-dimethylbutanamide

N-[2-(1-hydroxyethyl)phenyl]-2,2-dimethylbutanamide (PubChem CID 55103349) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[2-(1-hydroxyethyl)phenyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(1-hydroxyethyl)phenyl]-2,2-dimethylbutanamide
PubChem CID55103349
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[2-(1-hydroxyethyl)phenyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccccc1C(C)O
InChIInChI=1S/C14H21NO2/c1-5-14(3,4)13(17)15-12-9-7-6-8-11(12)10(2)16/h6-10,16H,5H2,1-4H3,(H,15,17)
InChIKeyGVXARBGGZSZJAK-UHFFFAOYSA-N
XLogP3.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-ethyl-N-[2-(1-hydroxyethyl)phenyl]butanamide
CID 79813414
2-amino-3,3,3-trifluoro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide
CID 79805032
N-(2-butan-2-ylphenyl)-3-chloro-2,2-dimethylpropanamide
CID 55247136
N-[2-(1-hydroxyethyl)phenyl]butanamide
CID 43508507
2,2-dimethyl-N-naphthalen-1-ylbutanamide
CID 59672446
N-[2-(chloromethyl)phenyl]-2,2-dimethylbutanamide
CID 114298325
N-[2-(aminomethyl)phenyl]-2,2-dimethylbutanamide
CID 63756106
2-(2,2-dimethylbutanoylamino)benzamide
CID 3914045
3-chloro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide
CID 62727616
3-(ethylamino)-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide
CID 62838572
(2S)-2-[2-(2,2-dimethylbutanoylamino)phenyl]sulfanylbutanoic acid
CID 40803038
N-[2-(1-bromoethyl)phenyl]-2,2-dimethylpropanamide
CID 114315470

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-hydroxyethyl)phenyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[2-(1-hydroxyethyl)phenyl]-2,2-dimethylbutanamide (CID 55103349) is N-[2-(1-hydroxyethyl)phenyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[2-(1-hydroxyethyl)phenyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[2-(1-hydroxyethyl)phenyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1ccccc1C(C)O.
What is the InChIKey of N-[2-(1-hydroxyethyl)phenyl]-2,2-dimethylbutanamide?
The InChIKey is GVXARBGGZSZJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-14(3,4)13(17)15-12-9-7-6-8-11(12)10(2)16/h6-10,16H,5H2,1-4H3,(H,15,17).
What are the key properties of N-[2-(1-hydroxyethyl)phenyl]-2,2-dimethylbutanamide?
N-[2-(1-hydroxyethyl)phenyl]-2,2-dimethylbutanamide has a molecular weight of 235.33 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-hydroxyethyl)phenyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 55103349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).