2-amino-3-methoxy-N-[[2-(propoxymethyl)phenyl]methyl]propanamide;hydrochloride

C15H25ClN2O3 — CID 120986491

IUPAC2-amino-3-methoxy-N-[[2-(propoxymethyl)phenyl]methyl]propanamide;hydrochloride
SMILESCCCOCc1ccccc1CNC(=O)C(N)COC.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-3-8-20-10-13-7-5-4-6-12(13)9-17-15(18)14(16)11-19-2;/h4-7,14H,3,8-11,16H2,1-2H3,(H,17,18);1H
InChIKeyCSLFJZGIGZWQLQ-UHFFFAOYSA-N
MW316.83 g/mol
LogP1.62
Rot. Bonds9

About 2-amino-3-methoxy-N-[[2-(propoxymethyl)phenyl]methyl]propanamide;hydrochloride

2-amino-3-methoxy-N-[[2-(propoxymethyl)phenyl]methyl]propanamide;hydrochloride (PubChem CID 120986491) has the molecular formula C15H25ClN2O3 and a molecular weight of 316.83 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[[2-(propoxymethyl)phenyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[[2-(propoxymethyl)phenyl]methyl]propanamide;hydrochloride
PubChem CID120986491
Molecular FormulaC15H25ClN2O3
Molecular Weight316.83 g/mol
Exact Mass316.16
IUPAC Name2-amino-3-methoxy-N-[[2-(propoxymethyl)phenyl]methyl]propanamide;hydrochloride
SMILESCCCOCc1ccccc1CNC(=O)C(N)COC.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-3-8-20-10-13-7-5-4-6-12(13)9-17-15(18)14(16)11-19-2;/h4-7,14H,3,8-11,16H2,1-2H3,(H,17,18);1H
InChIKeyCSLFJZGIGZWQLQ-UHFFFAOYSA-N
XLogP1.62
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-3-methoxy-N-[[2-(propoxymethyl)phenyl]methyl]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

Related Compounds

2-[2-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]acetic acid
CID 81317772
(2S)-2-amino-3,3-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]butanamide
CID 119734224
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]pentanamide
CID 93359004
2-amino-N-[[2-(propoxymethyl)phenyl]methyl]benzamide;hydrochloride
CID 119944739
4-amino-N-[[2-(propoxymethyl)phenyl]methyl]pentanamide
CID 120560690
2-amino-4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]butanamide
CID 62473216
3-(2-aminophenyl)-N-[[2-(propoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 120609340
2-amino-N-[[2-(methoxymethyl)phenyl]methyl]butanediamide;hydrochloride
CID 119956519
1-(3-methoxypropyl)-3-[[2-(propoxymethyl)phenyl]methyl]urea
CID 86999004
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119286563
2-amino-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120992179
3-(2-aminophenyl)-N-[[2-(propoxymethyl)phenyl]methyl]propanamide
CID 120609341

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[[2-(propoxymethyl)phenyl]methyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-N-[[2-(propoxymethyl)phenyl]methyl]propanamide;hydrochloride (CID 120986491) is 2-amino-3-methoxy-N-[[2-(propoxymethyl)phenyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-N-[[2-(propoxymethyl)phenyl]methyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-N-[[2-(propoxymethyl)phenyl]methyl]propanamide;hydrochloride is CCCOCc1ccccc1CNC(=O)C(N)COC.Cl.
What is the InChIKey of 2-amino-3-methoxy-N-[[2-(propoxymethyl)phenyl]methyl]propanamide;hydrochloride?
The InChIKey is CSLFJZGIGZWQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3.ClH/c1-3-8-20-10-13-7-5-4-6-12(13)9-17-15(18)14(16)11-19-2;/h4-7,14H,3,8-11,16H2,1-2H3,(H,17,18);1H.
What are the key properties of 2-amino-3-methoxy-N-[[2-(propoxymethyl)phenyl]methyl]propanamide;hydrochloride?
2-amino-3-methoxy-N-[[2-(propoxymethyl)phenyl]methyl]propanamide;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 1.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[[2-(propoxymethyl)phenyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120986491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).