(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide;hydrochloride

C13H21ClN2O2 — CID 119286563

IUPAC(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide;hydrochloride
SMILESCCOCc1ccccc1CNC(=O)[C@H](C)N.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-3-17-9-12-7-5-4-6-11(12)8-15-13(16)10(2)14;/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16);1H/t10-;/m0./s1
InChIKeyJBHYJKISZXFVMB-PPHPATTJSA-N
MW272.78 g/mol
LogP1.61
Rot. Bonds6

About (2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide;hydrochloride

(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide;hydrochloride (PubChem CID 119286563) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is (2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide;hydrochloride
PubChem CID119286563
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide;hydrochloride
SMILESCCOCc1ccccc1CNC(=O)[C@H](C)N.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-3-17-9-12-7-5-4-6-11(12)8-15-13(16)10(2)14;/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16);1H/t10-;/m0./s1
InChIKeyJBHYJKISZXFVMB-PPHPATTJSA-N
XLogP1.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-[[2-(ethoxymethyl)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

(2R)-2-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 119286428
(2R)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 103928994
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]pentanamide
CID 93359004
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 119286568
N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-diphenylacetamide
CID 55599193
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119949732
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2-phenylpropanamide
CID 119718321
2-[2-[(2-aminopropanoylamino)methyl]phenyl]acetic acid
CID 81318490
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 119949733
4-amino-N-[[2-(propoxymethyl)phenyl]methyl]pentanamide
CID 120560690
2-amino-N-[(2-iodophenyl)methyl]propanamide
CID 77144463
2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylpropanamide
CID 61266399

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide;hydrochloride (CID 119286563) is (2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide;hydrochloride is CCOCc1ccccc1CNC(=O)[C@H](C)N.Cl.
What is the InChIKey of (2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide;hydrochloride?
The InChIKey is JBHYJKISZXFVMB-PPHPATTJSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-3-17-9-12-7-5-4-6-11(12)8-15-13(16)10(2)14;/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16);1H/t10-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide;hydrochloride?
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 119286563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).