N-(2-hydroxy-2,3-dimethylbutyl)-3-phenylpentanamide

C17H27NO2 — CID 111484060

IUPACN-(2-hydroxy-2,3-dimethylbutyl)-3-phenylpentanamide
SMILESCCC(CC(=O)NCC(C)(O)C(C)C)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-5-14(15-9-7-6-8-10-15)11-16(19)18-12-17(4,20)13(2)3/h6-10,13-14,20H,5,11-12H2,1-4H3,(H,18,19)
InChIKeyKYZCMKPDNUIFOX-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.09
Rot. Bonds7

About N-(2-hydroxy-2,3-dimethylbutyl)-3-phenylpentanamide

N-(2-hydroxy-2,3-dimethylbutyl)-3-phenylpentanamide (PubChem CID 111484060) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylbutyl)-3-phenylpentanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylbutyl)-3-phenylpentanamide
PubChem CID111484060
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-(2-hydroxy-2,3-dimethylbutyl)-3-phenylpentanamide
SMILESCCC(CC(=O)NCC(C)(O)C(C)C)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-5-14(15-9-7-6-8-10-15)11-16(19)18-12-17(4,20)13(2)3/h6-10,13-14,20H,5,11-12H2,1-4H3,(H,18,19)
InChIKeyKYZCMKPDNUIFOX-UHFFFAOYSA-N
XLogP3.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-3-phenylpentanamide
CID 111483351
N-(2-amino-2-ethylbutyl)-3-phenylpentanamide;hydrochloride
CID 119643360
2-methyl-3-(3-phenylpentanoylamino)propanoic acid
CID 119237250
(2S)-2-(3-phenylpentanoylamino)propanoic acid
CID 119238309
N-(2-hydroxy-2,3-dimethylbutyl)benzamide
CID 111484208
2,2-dimethyl-5-phenylheptan-3-one
CID 15091945
(3R)-N-[(2R)-2-hydroxy-2,3-dimethylbutyl]-3-(3-methoxyphenyl)butanamide
CID 97018455
N-(2-hydroxy-2,3-dimethylbutyl)-3-(3-methoxyphenyl)butanamide
CID 71973986
N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpentanamide
CID 119599953
3-[3-(4-methoxyphenyl)pentanoylamino]-2,2-dimethylpropanoic acid
CID 120687909
(2R)-2-phenyl-2-(3-phenylpentanoylamino)acetic acid
CID 119368014
ethane;3-phenylpentanoic acid
CID 142147200

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-3-phenylpentanamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-3-phenylpentanamide (CID 111484060) is N-(2-hydroxy-2,3-dimethylbutyl)-3-phenylpentanamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylbutyl)-3-phenylpentanamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylbutyl)-3-phenylpentanamide is CCC(CC(=O)NCC(C)(O)C(C)C)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylbutyl)-3-phenylpentanamide?
The InChIKey is KYZCMKPDNUIFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-14(15-9-7-6-8-10-15)11-16(19)18-12-17(4,20)13(2)3/h6-10,13-14,20H,5,11-12H2,1-4H3,(H,18,19).
What are the key properties of N-(2-hydroxy-2,3-dimethylbutyl)-3-phenylpentanamide?
N-(2-hydroxy-2,3-dimethylbutyl)-3-phenylpentanamide has a molecular weight of 277.41 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylbutyl)-3-phenylpentanamide is sourced from PubChem (CID 111484060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).