N-(2-ethyl-2-hydroxybutyl)-4-(4-methylphenyl)butanamide

C17H27NO2 — CID 111463301

IUPACN-(2-ethyl-2-hydroxybutyl)-4-(4-methylphenyl)butanamide
SMILESCCC(O)(CC)CNC(=O)CCCc1ccc(C)cc1
InChIInChI=1S/C17H27NO2/c1-4-17(20,5-2)13-18-16(19)8-6-7-15-11-9-14(3)10-12-15/h9-12,20H,4-8,13H2,1-3H3,(H,18,19)
InChIKeyNESLNDCCPKETLT-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.99
Rot. Bonds8

About N-(2-ethyl-2-hydroxybutyl)-4-(4-methylphenyl)butanamide

N-(2-ethyl-2-hydroxybutyl)-4-(4-methylphenyl)butanamide (PubChem CID 111463301) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-4-(4-methylphenyl)butanamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-4-(4-methylphenyl)butanamide
PubChem CID111463301
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-4-(4-methylphenyl)butanamide
SMILESCCC(O)(CC)CNC(=O)CCCc1ccc(C)cc1
InChIInChI=1S/C17H27NO2/c1-4-17(20,5-2)13-18-16(19)8-6-7-15-11-9-14(3)10-12-15/h9-12,20H,4-8,13H2,1-3H3,(H,18,19)
InChIKeyNESLNDCCPKETLT-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethylpropyl)-4-(4-methylphenyl)butanamide
CID 177221343
N-(2-ethyl-2-hydroxybutyl)-3-(4-methoxyphenyl)propanamide
CID 65112662
N-(2,3-dihydroxy-2-methylpropyl)-3-(4-methylphenyl)propanamide
CID 66171129
2-methyl-3-[4-(4-methylphenyl)butanoylamino]propanoic acid
CID 119236583
N-(2-cyclopentylethyl)-4-(4-methylphenyl)butanamide
CID 55774639
N-(3-chloro-2,2-dimethylpropyl)-3-(4-methylphenyl)propanamide
CID 115364619
N-(2-amino-2-oxoethyl)-5-(4-methylphenyl)pentanamide
CID 56784821
5-chloro-N-(2-ethyl-2-hydroxybutyl)pentanamide
CID 65105586
ethyl 4-(4-methylphenyl)butanoate
CID 10013221
3-(2,4-dimethylphenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide
CID 65113922
N-(cyclohexylmethyl)-4-(4-methylphenyl)butanamide
CID 55771489
ethyl (3R)-3-hydroxy-4-[4-(4-methoxyphenyl)butanoylamino]-3-methylbutanoate
CID 97352162

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-4-(4-methylphenyl)butanamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-4-(4-methylphenyl)butanamide (CID 111463301) is N-(2-ethyl-2-hydroxybutyl)-4-(4-methylphenyl)butanamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-4-(4-methylphenyl)butanamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-4-(4-methylphenyl)butanamide is CCC(O)(CC)CNC(=O)CCCc1ccc(C)cc1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-4-(4-methylphenyl)butanamide?
The InChIKey is NESLNDCCPKETLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-17(20,5-2)13-18-16(19)8-6-7-15-11-9-14(3)10-12-15/h9-12,20H,4-8,13H2,1-3H3,(H,18,19).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-4-(4-methylphenyl)butanamide?
N-(2-ethyl-2-hydroxybutyl)-4-(4-methylphenyl)butanamide has a molecular weight of 277.41 g/mol, XLogP of 2.99, 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)-4-(4-methylphenyl)butanamide is sourced from PubChem (CID 111463301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).