N-(3-hydroxybutyl)-2-[4-(2-methylpropyl)phenyl]acetamide

C16H25NO2 — CID 111428861

IUPACN-(3-hydroxybutyl)-2-[4-(2-methylpropyl)phenyl]acetamide
SMILESCC(C)Cc1ccc(CC(=O)NCCC(C)O)cc1
InChIInChI=1S/C16H25NO2/c1-12(2)10-14-4-6-15(7-5-14)11-16(19)17-9-8-13(3)18/h4-7,12-13,18H,8-11H2,1-3H3,(H,17,19)
InChIKeyKLGLFMCXEPCLQE-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.31
Rot. Bonds7

About N-(3-hydroxybutyl)-2-[4-(2-methylpropyl)phenyl]acetamide

N-(3-hydroxybutyl)-2-[4-(2-methylpropyl)phenyl]acetamide (PubChem CID 111428861) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-2-[4-(2-methylpropyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-2-[4-(2-methylpropyl)phenyl]acetamide
PubChem CID111428861
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(3-hydroxybutyl)-2-[4-(2-methylpropyl)phenyl]acetamide
SMILESCC(C)Cc1ccc(CC(=O)NCCC(C)O)cc1
InChIInChI=1S/C16H25NO2/c1-12(2)10-14-4-6-15(7-5-14)11-16(19)17-9-8-13(3)18/h4-7,12-13,18H,8-11H2,1-3H3,(H,17,19)
InChIKeyKLGLFMCXEPCLQE-UHFFFAOYSA-N
XLogP2.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-methylpropyl)phenyl]-N-propylacetamide
CID 78814444
N-(2-methoxyethyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 78814646
2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylacetamide
CID 78814712
N-(2-amino-2-methylpropyl)-2-[4-(2-methylpropyl)phenyl]acetamide;hydrochloride
CID 119628469
N-(3-amino-2-methylpropyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 115271670
N-cyclohexyl-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanamide
CID 60552327
N-(3-methylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 110771442
2-(4-bromophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide
CID 112995172
N-[3,4-dihydroxy-4-[4-(2-methylpropyl)phenyl]butyl]acetamide
CID 171883301
methyl 2-[4-(2-methylpropyl)phenyl]acetate
CID 10987436
2-(4-fluorophenyl)-N-[2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 110978082
3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]butanoic acid
CID 119220881

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-2-[4-(2-methylpropyl)phenyl]acetamide?
The IUPAC name of N-(3-hydroxybutyl)-2-[4-(2-methylpropyl)phenyl]acetamide (CID 111428861) is N-(3-hydroxybutyl)-2-[4-(2-methylpropyl)phenyl]acetamide.
What is the SMILES notation for N-(3-hydroxybutyl)-2-[4-(2-methylpropyl)phenyl]acetamide?
The canonical SMILES for N-(3-hydroxybutyl)-2-[4-(2-methylpropyl)phenyl]acetamide is CC(C)Cc1ccc(CC(=O)NCCC(C)O)cc1.
What is the InChIKey of N-(3-hydroxybutyl)-2-[4-(2-methylpropyl)phenyl]acetamide?
The InChIKey is KLGLFMCXEPCLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)10-14-4-6-15(7-5-14)11-16(19)17-9-8-13(3)18/h4-7,12-13,18H,8-11H2,1-3H3,(H,17,19).
What are the key properties of N-(3-hydroxybutyl)-2-[4-(2-methylpropyl)phenyl]acetamide?
N-(3-hydroxybutyl)-2-[4-(2-methylpropyl)phenyl]acetamide has a molecular weight of 263.38 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-2-[4-(2-methylpropyl)phenyl]acetamide is sourced from PubChem (CID 111428861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).