(2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide

C14H22N2O3 — CID 106310662

IUPAC(2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCCCOCCO
InChIInChI=1S/C14H22N2O3/c15-13(11-12-5-2-1-3-6-12)14(18)16-7-4-9-19-10-8-17/h1-3,5-6,13,17H,4,7-11,15H2,(H,16,18)/t13-/m0/s1
InChIKeyMLSMFTBXWRBRQW-ZDUSSCGKSA-N
MW266.34 g/mol
LogP0.07
Rot. Bonds9

About (2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide

(2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide (PubChem CID 106310662) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide
PubChem CID106310662
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCCCOCCO
InChIInChI=1S/C14H22N2O3/c15-13(11-12-5-2-1-3-6-12)14(18)16-7-4-9-19-10-8-17/h1-3,5-6,13,17H,4,7-11,15H2,(H,16,18)/t13-/m0/s1
InChIKeyMLSMFTBXWRBRQW-ZDUSSCGKSA-N
XLogP0.07
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide 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-[2-(2-hydroxyethoxy)ethyl]-3-phenylpropanamide
CID 61275037
2-amino-3-phenyl-N-(3-propoxypropyl)propanamide
CID 82942033
2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256
(2R)-2-amino-N-[4-(2-methoxyethoxy)butyl]-3-phenylpropanamide
CID 103796209
2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43153328
(2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 104904975
(2R)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide
CID 103796033
(2R)-2-amino-N-(2-phenoxyethyl)-3-phenylpropanamide
CID 78984684
2-amino-N-[6-(3-hydroxypropoxy)-2-oxohexyl]-3-phenylpropanamide;methane
CID 165007048
(2S)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide;hydrochloride
CID 119308000
(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-3-phenylpropanamide
CID 106047732
2-amino-3-phenyl-N-[3-(1-phenylethoxy)propyl]propanamide;hydrochloride
CID 119273566

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide (CID 106310662) is (2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide is N[C@@H](Cc1ccccc1)C(=O)NCCCOCCO.
What is the InChIKey of (2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide?
The InChIKey is MLSMFTBXWRBRQW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N2O3/c15-13(11-12-5-2-1-3-6-12)14(18)16-7-4-9-19-10-8-17/h1-3,5-6,13,17H,4,7-11,15H2,(H,16,18)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide?
(2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide has a molecular weight of 266.34 g/mol, XLogP of 0.07, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide is sourced from PubChem (CID 106310662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).