(2S)-2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-phenylpropanamide

C15H23N3O3 — CID 103795836

IUPAC(2S)-2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-phenylpropanamide
SMILESCOCCNC(=O)CCNC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C15H23N3O3/c1-21-10-9-17-14(19)7-8-18-15(20)13(16)11-12-5-3-2-4-6-12/h2-6,13H,7-11,16H2,1H3,(H,17,19)(H,18,20)/t13-/m0/s1
InChIKeyJVDHNDNJEPSEBE-ZDUSSCGKSA-N
MW293.37 g/mol
LogP-0.17
Rot. Bonds9

About (2S)-2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-phenylpropanamide

(2S)-2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-phenylpropanamide (PubChem CID 103795836) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-phenylpropanamide
PubChem CID103795836
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(2S)-2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-phenylpropanamide
SMILESCOCCNC(=O)CCNC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C15H23N3O3/c1-21-10-9-17-14(19)7-8-18-15(20)13(16)11-12-5-3-2-4-6-12/h2-6,13H,7-11,16H2,1H3,(H,17,19)(H,18,20)/t13-/m0/s1
InChIKeyJVDHNDNJEPSEBE-ZDUSSCGKSA-N
XLogP-0.17
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.17
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-methoxyethylamino)-3-oxopropyl]-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-methoxyethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride
CID 119274169
(2R)-2-amino-N-[3-oxo-3-(propylamino)propyl]-3-phenylpropanamide
CID 78985493
2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43153328
(2R)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide
CID 103796033
2-amino-N-[3-(methylamino)-3-oxopropyl]-3-phenylpropanamide;hydrochloride
CID 119293831
(2S)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide;hydrochloride
CID 119308000
(2R)-2-amino-N-[4-(2-methoxyethoxy)butyl]-3-phenylpropanamide
CID 103796209
(2R)-2-amino-N-(2-phenoxyethyl)-3-phenylpropanamide
CID 78984684
(2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)-3-phenylpropanamide
CID 106247480
(2S)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-phenylpropanamide
CID 61275037
(2S)-N-(2-methoxyethyl)-2-methyl-3-phenylpropanamide
CID 141196582
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-phenylpropanamide
CID 106236678

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-phenylpropanamide (CID 103795836) is (2S)-2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-phenylpropanamide is COCCNC(=O)CCNC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-phenylpropanamide?
The InChIKey is JVDHNDNJEPSEBE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-21-10-9-17-14(19)7-8-18-15(20)13(16)11-12-5-3-2-4-6-12/h2-6,13H,7-11,16H2,1H3,(H,17,19)(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-phenylpropanamide?
(2S)-2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-phenylpropanamide has a molecular weight of 293.37 g/mol, XLogP of -0.17, 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-methoxyethylamino)-3-oxopropyl]-3-phenylpropanamide is sourced from PubChem (CID 103795836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).