N-(3-hydroxyphenyl)-N,4-dimethylpentanamide

C13H19NO2 — CID 107735895

IUPACN-(3-hydroxyphenyl)-N,4-dimethylpentanamide
SMILESCC(C)CCC(=O)N(C)c1cccc(O)c1
InChIInChI=1S/C13H19NO2/c1-10(2)7-8-13(16)14(3)11-5-4-6-12(15)9-11/h4-6,9-10,15H,7-8H2,1-3H3
InChIKeyMKXOJHOUOFXLAV-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.79
Rot. Bonds4

About N-(3-hydroxyphenyl)-N,4-dimethylpentanamide

N-(3-hydroxyphenyl)-N,4-dimethylpentanamide (PubChem CID 107735895) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-N,4-dimethylpentanamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-N,4-dimethylpentanamide
PubChem CID107735895
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(3-hydroxyphenyl)-N,4-dimethylpentanamide
SMILESCC(C)CCC(=O)N(C)c1cccc(O)c1
InChIInChI=1S/C13H19NO2/c1-10(2)7-8-13(16)14(3)11-5-4-6-12(15)9-11/h4-6,9-10,15H,7-8H2,1-3H3
InChIKeyMKXOJHOUOFXLAV-UHFFFAOYSA-N
XLogP2.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-cyanophenyl)-N,4-dimethylpentanamide
CID 60588260
N-(3-hydroxyphenyl)-N-methylpentanamide
CID 107735913
N-(3-hydroxyphenyl)-N-methylnonanamide
CID 107736082
ethyl 4-(3-hydroxy-N-methylanilino)-4-oxobutanoate
CID 107734000
3-amino-N-(3-hydroxyphenyl)-N-methylpentanamide
CID 107734648
(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
(2R)-2-amino-N-(3-hydroxyphenyl)-N-methylpropanamide
CID 107734692
3-(4-aminophenyl)-N-(3-hydroxyphenyl)-N-methylbutanamide
CID 107734626
N-(3-hydroxyphenyl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 107735768
(2S)-2-amino-N-(3-hydroxyphenyl)-N-methylbutanamide
CID 107734784
3-amino-N-methyl-N-(3-propan-2-ylphenyl)propanamide
CID 119305753
N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide
CID 107736260

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-N,4-dimethylpentanamide?
The IUPAC name of N-(3-hydroxyphenyl)-N,4-dimethylpentanamide (CID 107735895) is N-(3-hydroxyphenyl)-N,4-dimethylpentanamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-N,4-dimethylpentanamide?
The canonical SMILES for N-(3-hydroxyphenyl)-N,4-dimethylpentanamide is CC(C)CCC(=O)N(C)c1cccc(O)c1.
What is the InChIKey of N-(3-hydroxyphenyl)-N,4-dimethylpentanamide?
The InChIKey is MKXOJHOUOFXLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(2)7-8-13(16)14(3)11-5-4-6-12(15)9-11/h4-6,9-10,15H,7-8H2,1-3H3.
What are the key properties of N-(3-hydroxyphenyl)-N,4-dimethylpentanamide?
N-(3-hydroxyphenyl)-N,4-dimethylpentanamide has a molecular weight of 221.30 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-N,4-dimethylpentanamide is sourced from PubChem (CID 107735895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).