3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylbutanamide

C15H24N2O2 — CID 115154979

IUPAC3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylbutanamide
SMILESCCOc1ccc(CNC(=O)CC(C)(C)N)cc1C
InChIInChI=1S/C15H24N2O2/c1-5-19-13-7-6-12(8-11(13)2)10-17-14(18)9-15(3,4)16/h6-8H,5,9-10,16H2,1-4H3,(H,17,18)
InChIKeyIACLSLVZBBMNKE-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.14
Rot. Bonds6

About 3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylbutanamide

3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylbutanamide (PubChem CID 115154979) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylbutanamide
PubChem CID115154979
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylbutanamide
SMILESCCOc1ccc(CNC(=O)CC(C)(C)N)cc1C
InChIInChI=1S/C15H24N2O2/c1-5-19-13-7-6-12(8-11(13)2)10-17-14(18)9-15(3,4)16/h6-8H,5,9-10,16H2,1-4H3,(H,17,18)
InChIKeyIACLSLVZBBMNKE-UHFFFAOYSA-N
XLogP2.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylbutanamide 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

4-amino-N-[(4-ethoxy-3-methylphenyl)methyl]pentanamide
CID 115156704
N-[(4-ethoxy-3-methylphenyl)methyl]-2-methyl-2-(methylamino)propanamide
CID 115165723
1-N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylbutane-1,3-diamine
CID 115200606
3-amino-3-methyl-N-[(4-methylphenyl)methyl]butanamide
CID 64686332
4-(4-ethoxy-3-methylphenyl)-2-methylbutan-2-amine
CID 96659154
N-[(4-ethoxy-3-methylphenyl)methyl]-2-(hydroxymethyl)butanamide
CID 115186556
N-[(4-ethoxy-3-methylphenyl)methyl]azetidine-3-carboxamide
CID 115158856
3-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide
CID 115154910
N-[(4-ethoxy-3-methylphenyl)methyl]furan-2-carboxamide
CID 110781919
1-tert-butyl-3-[2-(4-ethoxy-3-methylphenyl)ethyl]urea
CID 110775842
3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutanamide
CID 115154960
2-(4-aminophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]acetamide
CID 119781593

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylbutanamide?
The IUPAC name of 3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylbutanamide (CID 115154979) is 3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylbutanamide?
The canonical SMILES for 3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylbutanamide is CCOc1ccc(CNC(=O)CC(C)(C)N)cc1C.
What is the InChIKey of 3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylbutanamide?
The InChIKey is IACLSLVZBBMNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-19-13-7-6-12(8-11(13)2)10-17-14(18)9-15(3,4)16/h6-8H,5,9-10,16H2,1-4H3,(H,17,18).
What are the key properties of 3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylbutanamide?
3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 115154979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).