3-(ethylamino)-N-(2-hydroxy-5-methoxyphenyl)-2-methylpropanamide

C13H20N2O3 — CID 102695614

IUPAC3-(ethylamino)-N-(2-hydroxy-5-methoxyphenyl)-2-methylpropanamide
SMILESCCNCC(C)C(=O)Nc1cc(OC)ccc1O
InChIInChI=1S/C13H20N2O3/c1-4-14-8-9(2)13(17)15-11-7-10(18-3)5-6-12(11)16/h5-7,9,14,16H,4,8H2,1-3H3,(H,15,17)
InChIKeyCBDJQRWWTACFPQ-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.58
Rot. Bonds6

About 3-(ethylamino)-N-(2-hydroxy-5-methoxyphenyl)-2-methylpropanamide

3-(ethylamino)-N-(2-hydroxy-5-methoxyphenyl)-2-methylpropanamide (PubChem CID 102695614) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-(ethylamino)-N-(2-hydroxy-5-methoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(2-hydroxy-5-methoxyphenyl)-2-methylpropanamide
PubChem CID102695614
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-(ethylamino)-N-(2-hydroxy-5-methoxyphenyl)-2-methylpropanamide
SMILESCCNCC(C)C(=O)Nc1cc(OC)ccc1O
InChIInChI=1S/C13H20N2O3/c1-4-14-8-9(2)13(17)15-11-7-10(18-3)5-6-12(11)16/h5-7,9,14,16H,4,8H2,1-3H3,(H,15,17)
InChIKeyCBDJQRWWTACFPQ-UHFFFAOYSA-N
XLogP1.58
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 3-(ethylamino)-N-(2-hydroxy-5-methoxyphenyl)-2-methylpropanamide 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

3-(ethylamino)-N-(5-methoxy-2-methylphenyl)-2-methylpropanamide
CID 114252727
3-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-hydroxybenzoic acid
CID 107265225
(2S)-2-amino-N-(2-hydroxy-5-methoxyphenyl)pentanamide
CID 107570852
(2S)-N-[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-methylbutanamide
CID 25335054
(2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide
CID 40788880
N-(3,4-dimethoxyphenyl)-3-(ethylamino)-2-methylpropanamide
CID 55123166
N-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195727
3-(ethylamino)-2-methyl-N-(2-methylphenyl)propanamide
CID 45097653
N-(2-hydroxy-5-methoxyphenyl)-2-methylprop-2-enamide
CID 139950006
3-(ethylamino)-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide
CID 114839717
3-(ethylamino)-N-(3-fluoro-4-methoxyphenyl)-2-methylpropanamide
CID 55122876
N-[2,4-di(propan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide
CID 62852532

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(2-hydroxy-5-methoxyphenyl)-2-methylpropanamide?
The IUPAC name of 3-(ethylamino)-N-(2-hydroxy-5-methoxyphenyl)-2-methylpropanamide (CID 102695614) is 3-(ethylamino)-N-(2-hydroxy-5-methoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for 3-(ethylamino)-N-(2-hydroxy-5-methoxyphenyl)-2-methylpropanamide?
The canonical SMILES for 3-(ethylamino)-N-(2-hydroxy-5-methoxyphenyl)-2-methylpropanamide is CCNCC(C)C(=O)Nc1cc(OC)ccc1O.
What is the InChIKey of 3-(ethylamino)-N-(2-hydroxy-5-methoxyphenyl)-2-methylpropanamide?
The InChIKey is CBDJQRWWTACFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-14-8-9(2)13(17)15-11-7-10(18-3)5-6-12(11)16/h5-7,9,14,16H,4,8H2,1-3H3,(H,15,17).
What are the key properties of 3-(ethylamino)-N-(2-hydroxy-5-methoxyphenyl)-2-methylpropanamide?
3-(ethylamino)-N-(2-hydroxy-5-methoxyphenyl)-2-methylpropanamide has a molecular weight of 252.31 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(2-hydroxy-5-methoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 102695614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).