3-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbutanamide

C17H28N2O2 — CID 120502168

IUPAC3-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbutanamide
SMILESCOc1ccccc1C(CC(C)C)NC(=O)C(C)C(C)N
InChIInChI=1S/C17H28N2O2/c1-11(2)10-15(19-17(20)12(3)13(4)18)14-8-6-7-9-16(14)21-5/h6-9,11-13,15H,10,18H2,1-5H3,(H,19,20)
InChIKeyOQLMCQCOEOTUHA-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.88
Rot. Bonds7

About 3-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbutanamide

3-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbutanamide (PubChem CID 120502168) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbutanamide
PubChem CID120502168
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbutanamide
SMILESCOc1ccccc1C(CC(C)C)NC(=O)C(C)C(C)N
InChIInChI=1S/C17H28N2O2/c1-11(2)10-15(19-17(20)12(3)13(4)18)14-8-6-7-9-16(14)21-5/h6-9,11-13,15H,10,18H2,1-5H3,(H,19,20)
InChIKeyOQLMCQCOEOTUHA-UHFFFAOYSA-N
XLogP2.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-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

(2S)-2-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]propanamide
CID 119342540
methyl 2-(2-methoxyphenyl)-4-methylpentanoate
CID 112508329
2-hydroxy-N-[1-(2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide
CID 110016070
(2R)-2-amino-N-[1-(2-methoxyphenyl)propyl]-3,3-dimethylbutanamide
CID 103928736
N-[1-(2-ethoxyphenyl)-3-methylbutyl]-2-methyl-3-(methylamino)propanamide
CID 119812335
5-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbenzamide;hydrochloride
CID 120638250
2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 81387704
2-amino-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 60718632
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 81387938
1-[[1-(2-methoxyphenyl)-3-methylbutyl]carbamoyl]piperidine-4-carboxylic acid
CID 122004761
2-bromo-N-[1-(2-methoxyphenyl)propyl]butanamide
CID 62855577
4-amino-N-[3-methyl-1-(2-propoxyphenyl)butyl]pentanamide
CID 120563941

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbutanamide?
The IUPAC name of 3-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbutanamide (CID 120502168) is 3-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbutanamide?
The canonical SMILES for 3-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbutanamide is COc1ccccc1C(CC(C)C)NC(=O)C(C)C(C)N.
What is the InChIKey of 3-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbutanamide?
The InChIKey is OQLMCQCOEOTUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-11(2)10-15(19-17(20)12(3)13(4)18)14-8-6-7-9-16(14)21-5/h6-9,11-13,15H,10,18H2,1-5H3,(H,19,20).
What are the key properties of 3-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbutanamide?
3-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbutanamide has a molecular weight of 292.42 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbutanamide is sourced from PubChem (CID 120502168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).