N-[1-(4-hydroxyphenyl)ethyl]-N,3-dimethylpentanamide

C15H23NO2 — CID 114875153

IUPACN-[1-(4-hydroxyphenyl)ethyl]-N,3-dimethylpentanamide
SMILESCCC(C)CC(=O)N(C)C(C)c1ccc(O)cc1
InChIInChI=1S/C15H23NO2/c1-5-11(2)10-15(18)16(4)12(3)13-6-8-14(17)9-7-13/h6-9,11-12,17H,5,10H2,1-4H3
InChIKeyDKKSTNGKXDUNGT-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.35
Rot. Bonds5

About N-[1-(4-hydroxyphenyl)ethyl]-N,3-dimethylpentanamide

N-[1-(4-hydroxyphenyl)ethyl]-N,3-dimethylpentanamide (PubChem CID 114875153) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[1-(4-hydroxyphenyl)ethyl]-N,3-dimethylpentanamide.

Molecular Properties

Compound NameN-[1-(4-hydroxyphenyl)ethyl]-N,3-dimethylpentanamide
PubChem CID114875153
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[1-(4-hydroxyphenyl)ethyl]-N,3-dimethylpentanamide
SMILESCCC(C)CC(=O)N(C)C(C)c1ccc(O)cc1
InChIInChI=1S/C15H23NO2/c1-5-11(2)10-15(18)16(4)12(3)13-6-8-14(17)9-7-13/h6-9,11-12,17H,5,10H2,1-4H3
InChIKeyDKKSTNGKXDUNGT-UHFFFAOYSA-N
XLogP3.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-hydroxyphenyl)ethyl]-N-methylpentanamide
CID 61042848
N-[1-(4-hydroxyphenyl)ethyl]-N-methylhexanamide
CID 54912821
4-amino-N,3-dimethyl-N-(1-phenylethyl)butanamide
CID 81087355
3-(2,2-difluoroethoxy)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylpropanamide
CID 103208632
N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 134003876
2-(4-hydroxyphenyl)-N-methyl-N-(1-phenylethyl)acetamide
CID 78809223
2-(cyclohexen-1-yl)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylacetamide
CID 63564606
4-[1-(dimethylamino)ethyl]phenol
CID 3029886
N-[1-(4-bromophenyl)ethyl]-N-methylbutanamide
CID 166191857
1-[1-(4-chlorophenyl)ethyl]-3,3-diethyl-1-methylurea
CID 115618579
N-(1-cyanoethyl)-N,3-dimethylpentanamide
CID 114874733
5-bromo-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 54913160

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxyphenyl)ethyl]-N,3-dimethylpentanamide?
The IUPAC name of N-[1-(4-hydroxyphenyl)ethyl]-N,3-dimethylpentanamide (CID 114875153) is N-[1-(4-hydroxyphenyl)ethyl]-N,3-dimethylpentanamide.
What is the SMILES notation for N-[1-(4-hydroxyphenyl)ethyl]-N,3-dimethylpentanamide?
The canonical SMILES for N-[1-(4-hydroxyphenyl)ethyl]-N,3-dimethylpentanamide is CCC(C)CC(=O)N(C)C(C)c1ccc(O)cc1.
What is the InChIKey of N-[1-(4-hydroxyphenyl)ethyl]-N,3-dimethylpentanamide?
The InChIKey is DKKSTNGKXDUNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-11(2)10-15(18)16(4)12(3)13-6-8-14(17)9-7-13/h6-9,11-12,17H,5,10H2,1-4H3.
What are the key properties of N-[1-(4-hydroxyphenyl)ethyl]-N,3-dimethylpentanamide?
N-[1-(4-hydroxyphenyl)ethyl]-N,3-dimethylpentanamide has a molecular weight of 249.35 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxyphenyl)ethyl]-N,3-dimethylpentanamide is sourced from PubChem (CID 114875153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).