N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2,2-dimethylpropanamide

C13H19NO3 — CID 18442214

IUPACN-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(O)c1ccc(O)cc1
InChIInChI=1S/C13H19NO3/c1-13(2,3)12(17)14-8-11(16)9-4-6-10(15)7-5-9/h4-7,11,15-16H,8H2,1-3H3,(H,14,17)
InChIKeyNSSMNSNZSFAEEV-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.59
Rot. Bonds3

About N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2,2-dimethylpropanamide

N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2,2-dimethylpropanamide (PubChem CID 18442214) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2,2-dimethylpropanamide
PubChem CID18442214
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(O)c1ccc(O)cc1
InChIInChI=1S/C13H19NO3/c1-13(2,3)12(17)14-8-11(16)9-4-6-10(15)7-5-9/h4-7,11,15-16H,8H2,1-3H3,(H,14,17)
InChIKeyNSSMNSNZSFAEEV-UHFFFAOYSA-N
XLogP1.59
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-2,2-dimethylpropanamide
CID 82119184
N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 43416331
N-[2-(2,3-dihydro-1H-inden-5-yl)-2-hydroxyethyl]-2,2-dimethylpropanamide
CID 82121740
2,2-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 100764025
N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 124843514
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 90582117
N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 129373617
(E)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 23874492
4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol
CID 76959355
(Z)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)-2-methoxyprop-2-enamide
CID 46232496
2,6-difluoro-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]benzamide
CID 6733826
N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide
CID 95982626

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2,2-dimethylpropanamide (CID 18442214) is N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC(O)c1ccc(O)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2,2-dimethylpropanamide?
The InChIKey is NSSMNSNZSFAEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2,3)12(17)14-8-11(16)9-4-6-10(15)7-5-9/h4-7,11,15-16H,8H2,1-3H3,(H,14,17).
What are the key properties of N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2,2-dimethylpropanamide?
N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2,2-dimethylpropanamide has a molecular weight of 237.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 18442214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).