3-amino-N-(3-hydroxyphenyl)-N-methylpentanamide

C12H18N2O2 — CID 107734648

IUPAC3-amino-N-(3-hydroxyphenyl)-N-methylpentanamide
SMILESCCC(N)CC(=O)N(C)c1cccc(O)c1
InChIInChI=1S/C12H18N2O2/c1-3-9(13)7-12(16)14(2)10-5-4-6-11(15)8-10/h4-6,8-9,15H,3,7,13H2,1-2H3
InChIKeyBOLQHHDOMNTJIE-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.48
Rot. Bonds4

About 3-amino-N-(3-hydroxyphenyl)-N-methylpentanamide

3-amino-N-(3-hydroxyphenyl)-N-methylpentanamide (PubChem CID 107734648) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-amino-N-(3-hydroxyphenyl)-N-methylpentanamide.

Molecular Properties

Compound Name3-amino-N-(3-hydroxyphenyl)-N-methylpentanamide
PubChem CID107734648
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-amino-N-(3-hydroxyphenyl)-N-methylpentanamide
SMILESCCC(N)CC(=O)N(C)c1cccc(O)c1
InChIInChI=1S/C12H18N2O2/c1-3-9(13)7-12(16)14(2)10-5-4-6-11(15)8-10/h4-6,8-9,15H,3,7,13H2,1-2H3
InChIKeyBOLQHHDOMNTJIE-UHFFFAOYSA-N
XLogP1.48
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-(3-hydroxyphenyl)-N-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-hydroxyphenyl)-N-methylpentanamide
CID 107735913
(2S)-2-amino-N-(3-hydroxyphenyl)-N-methylbutanamide
CID 107734784
N-(3-hydroxyphenyl)-N-methylnonanamide
CID 107736082
ethyl 4-(3-hydroxy-N-methylanilino)-4-oxobutanoate
CID 107734000
N-(3-hydroxyphenyl)-N,4-dimethylpentanamide
CID 107735895
3-(4-aminophenyl)-N-(3-hydroxyphenyl)-N-methylbutanamide
CID 107734626
(2R)-2-amino-N-(3-hydroxyphenyl)-N-methylpropanamide
CID 107734692
2-ethyl-N-(3-hydroxyphenyl)-N-methylhexanamide
CID 107735712
(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
1-(3-hydroxyphenyl)-1-methyl-3-propylurea
CID 107734166
2,2-diethyl-4-(3-hydroxy-N-methylanilino)-4-oxobutanoic acid
CID 107734007
ethyl 2-amino-3-(N-ethyl-3-hydroxyanilino)-3-oxopropanoate
CID 107735006

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-hydroxyphenyl)-N-methylpentanamide?
The IUPAC name of 3-amino-N-(3-hydroxyphenyl)-N-methylpentanamide (CID 107734648) is 3-amino-N-(3-hydroxyphenyl)-N-methylpentanamide.
What is the SMILES notation for 3-amino-N-(3-hydroxyphenyl)-N-methylpentanamide?
The canonical SMILES for 3-amino-N-(3-hydroxyphenyl)-N-methylpentanamide is CCC(N)CC(=O)N(C)c1cccc(O)c1.
What is the InChIKey of 3-amino-N-(3-hydroxyphenyl)-N-methylpentanamide?
The InChIKey is BOLQHHDOMNTJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-9(13)7-12(16)14(2)10-5-4-6-11(15)8-10/h4-6,8-9,15H,3,7,13H2,1-2H3.
What are the key properties of 3-amino-N-(3-hydroxyphenyl)-N-methylpentanamide?
3-amino-N-(3-hydroxyphenyl)-N-methylpentanamide has a molecular weight of 222.29 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-hydroxyphenyl)-N-methylpentanamide is sourced from PubChem (CID 107734648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).