2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide

C18H29NO2 — CID 73064783

IUPAC2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C(O)CCc1ccccc1
InChIInChI=1S/C18H29NO2/c1-17(2,3)13-18(4,5)19-16(21)15(20)12-11-14-9-7-6-8-10-14/h6-10,15,20H,11-13H2,1-5H3,(H,19,21)
InChIKeyRICQBOSCWJHQGV-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.31
Rot. Bonds6

About 2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide

2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide (PubChem CID 73064783) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide.

Molecular Properties

Compound Name2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide
PubChem CID73064783
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C(O)CCc1ccccc1
InChIInChI=1S/C18H29NO2/c1-17(2,3)13-18(4,5)19-16(21)15(20)12-11-14-9-7-6-8-10-14/h6-10,15,20H,11-13H2,1-5H3,(H,19,21)
InChIKeyRICQBOSCWJHQGV-UHFFFAOYSA-N
XLogP3.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-3-amino-2-hydroxy-N-(3-methylbutyl)-4-phenylbutanamide
CID 44309732
(2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxo-4-phenylbutyl)butanamide
CID 54754611
3-Amino-2-hydroxy-N-(3-methyl-butyl)-4-phenyl-butyramide
CID 44355762
8-hydroxy-N-(2-phenylethyl)pentadecanamide
CID 11726119
(S)-2-Hydroxy-3-phenylpropanamide
CID 445263
3-hydroxy-2,2-dimethyl-7-phenyl-N-prop-2-enylheptanamide
CID 24894021
(2R,3R)-3-benzyl-2,4-dihydroxy-3-methyl-N-[3-oxo-3-(pentylamino)propyl]butanamide
CID 54583494
(2S,3R)-3-amino-2-hydroxy-N-(3-methylbutyl)-4-phenylbutanamide;hydrochloride
CID 90675069
4-Hydroxy-2-ethyl-2-phenylglutarimide
CID 170822
N-tert-butyl-2-hydroxy-4-phenylbutanamide
CID 72998744
(2S)-N-ethyl-2-hydroxy-3-phenylpropanamide
CID 13215109
(2r)-2,4-Dihydroxy-N-[(3s)-3-Hydroxy-4-Phenylbutyl]-3,3-Dimethylbutanamide
CID 86287486

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The IUPAC name of 2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide (CID 73064783) is 2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide.
What is the SMILES notation for 2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The canonical SMILES for 2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide is CC(C)(C)CC(C)(C)NC(=O)C(O)CCc1ccccc1.
What is the InChIKey of 2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The InChIKey is RICQBOSCWJHQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-17(2,3)13-18(4,5)19-16(21)15(20)12-11-14-9-7-6-8-10-14/h6-10,15,20H,11-13H2,1-5H3,(H,19,21).
What are the key properties of 2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide?
2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide has a molecular weight of 291.43 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide is sourced from PubChem (CID 73064783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).