N-(2-ethyl-2-hydroxybutyl)-3-phenylpentanamide

C17H27NO2 — CID 111483351

IUPACN-(2-ethyl-2-hydroxybutyl)-3-phenylpentanamide
SMILESCCC(CC(=O)NCC(O)(CC)CC)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-4-14(15-10-8-7-9-11-15)12-16(19)18-13-17(20,5-2)6-3/h7-11,14,20H,4-6,12-13H2,1-3H3,(H,18,19)
InChIKeyTXFNDIKCZXANCQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.24
Rot. Bonds8

About N-(2-ethyl-2-hydroxybutyl)-3-phenylpentanamide

N-(2-ethyl-2-hydroxybutyl)-3-phenylpentanamide (PubChem CID 111483351) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-3-phenylpentanamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-3-phenylpentanamide
PubChem CID111483351
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-3-phenylpentanamide
SMILESCCC(CC(=O)NCC(O)(CC)CC)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-4-14(15-10-8-7-9-11-15)12-16(19)18-13-17(20,5-2)6-3/h7-11,14,20H,4-6,12-13H2,1-3H3,(H,18,19)
InChIKeyTXFNDIKCZXANCQ-UHFFFAOYSA-N
XLogP3.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-2,3-dimethylbutyl)-3-phenylpentanamide
CID 111484060
N-(2-amino-2-ethylbutyl)-3-phenylpentanamide;hydrochloride
CID 119643360
2-methyl-3-(3-phenylpentanoylamino)propanoic acid
CID 119237250
(2R)-2-phenyl-2-(3-phenylpentanoylamino)acetic acid
CID 119368014
(2S)-2-(3-phenylpentanoylamino)propanoic acid
CID 119238309
3-amino-N-(2-ethyl-2-hydroxybutyl)-2-phenylpropanamide
CID 65106734
ethane;3-phenylpentanoic acid
CID 142147200
N-(2-ethyl-2-hydroxybutyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 65112402
2,2-dimethyl-5-phenylheptan-3-one
CID 15091945
(3S)-3-phenylpentanoyl chloride
CID 42074098
3-amino-3-phenyl-N-(2-phenylbutyl)propanamide
CID 119949049
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylpentanamide
CID 111451449

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3-phenylpentanamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3-phenylpentanamide (CID 111483351) is N-(2-ethyl-2-hydroxybutyl)-3-phenylpentanamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-3-phenylpentanamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-3-phenylpentanamide is CCC(CC(=O)NCC(O)(CC)CC)c1ccccc1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-3-phenylpentanamide?
The InChIKey is TXFNDIKCZXANCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-14(15-10-8-7-9-11-15)12-16(19)18-13-17(20,5-2)6-3/h7-11,14,20H,4-6,12-13H2,1-3H3,(H,18,19).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-3-phenylpentanamide?
N-(2-ethyl-2-hydroxybutyl)-3-phenylpentanamide has a molecular weight of 277.41 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-3-phenylpentanamide is sourced from PubChem (CID 111483351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).