2-amino-3-methoxy-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride

C17H29ClN2O2 — CID 120990758

IUPAC2-amino-3-methoxy-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)NC(c1ccc(C(C)C)cc1)C(C)C.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-11(2)13-6-8-14(9-7-13)16(12(3)4)19-17(20)15(18)10-21-5;/h6-9,11-12,15-16H,10,18H2,1-5H3,(H,19,20);1H
InChIKeyHXJNTGKDFHVDHA-UHFFFAOYSA-N
MW328.88 g/mol
LogP3.02
Rot. Bonds7

About 2-amino-3-methoxy-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride

2-amino-3-methoxy-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride (PubChem CID 120990758) has the molecular formula C17H29ClN2O2 and a molecular weight of 328.88 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride
PubChem CID120990758
Molecular FormulaC17H29ClN2O2
Molecular Weight328.88 g/mol
Exact Mass328.19
IUPAC Name2-amino-3-methoxy-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)NC(c1ccc(C(C)C)cc1)C(C)C.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-11(2)13-6-8-14(9-7-13)16(12(3)4)19-17(20)15(18)10-21-5;/h6-9,11-12,15-16H,10,18H2,1-5H3,(H,19,20);1H
InChIKeyHXJNTGKDFHVDHA-UHFFFAOYSA-N
XLogP3.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.88
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-methoxy-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride (CID 120990758) is 2-amino-3-methoxy-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride is COCC(N)C(=O)NC(c1ccc(C(C)C)cc1)C(C)C.Cl.
What is the InChIKey of 2-amino-3-methoxy-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride?
The InChIKey is HXJNTGKDFHVDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.ClH/c1-11(2)13-6-8-14(9-7-13)16(12(3)4)19-17(20)15(18)10-21-5;/h6-9,11-12,15-16H,10,18H2,1-5H3,(H,19,20);1H.
What are the key properties of 2-amino-3-methoxy-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride?
2-amino-3-methoxy-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride has a molecular weight of 328.88 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride is sourced from PubChem (CID 120990758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).