2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide

C15H24N2O4 — CID 76893076

IUPAC2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
SMILESCOc1ccc(NC(=O)C(N)C(C)(C)C)cc1OCCO
InChIInChI=1S/C15H24N2O4/c1-15(2,3)13(16)14(19)17-10-5-6-11(20-4)12(9-10)21-8-7-18/h5-6,9,13,18H,7-8,16H2,1-4H3,(H,17,19)
InChIKeyRWJQXLOOCWGYJQ-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.38
Rot. Bonds6

About 2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide

2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide (PubChem CID 76893076) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
PubChem CID76893076
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
SMILESCOc1ccc(NC(=O)C(N)C(C)(C)C)cc1OCCO
InChIInChI=1S/C15H24N2O4/c1-15(2,3)13(16)14(19)17-10-5-6-11(20-4)12(9-10)21-8-7-18/h5-6,9,13,18H,7-8,16H2,1-4H3,(H,17,19)
InChIKeyRWJQXLOOCWGYJQ-UHFFFAOYSA-N
XLogP1.38
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide 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

(2S)-2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 61154260
2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide
CID 43696167
(2S)-2-amino-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119865034
N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2-methoxypropanamide
CID 112547835
2-(aminomethyl)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide
CID 65225450
(2S)-2-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119717616
(2R)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928800
(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119688392
2-hydroxyethyl N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]carbamate
CID 79346534
3-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]butanamide
CID 60837190
3-chloro-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2,2-dimethylpropanamide
CID 63678845
(2S)-2-amino-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide
CID 119289355

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide (CID 76893076) is 2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide is COc1ccc(NC(=O)C(N)C(C)(C)C)cc1OCCO.
What is the InChIKey of 2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide?
The InChIKey is RWJQXLOOCWGYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-15(2,3)13(16)14(19)17-10-5-6-11(20-4)12(9-10)21-8-7-18/h5-6,9,13,18H,7-8,16H2,1-4H3,(H,17,19).
What are the key properties of 2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide?
2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide has a molecular weight of 296.37 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 76893076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).