2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-phenylpropanamide

C13H19N3O3 — CID 106236678

IUPAC2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-phenylpropanamide
SMILESNC(=O)COCCNC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C13H19N3O3/c14-11(8-10-4-2-1-3-5-10)13(18)16-6-7-19-9-12(15)17/h1-5,11H,6-9,14H2,(H2,15,17)(H,16,18)
InChIKeySSVDQKFLIASGLZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP-0.83
Rot. Bonds8

About 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-phenylpropanamide

2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-phenylpropanamide (PubChem CID 106236678) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-phenylpropanamide
PubChem CID106236678
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-phenylpropanamide
SMILESNC(=O)COCCNC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C13H19N3O3/c14-11(8-10-4-2-1-3-5-10)13(18)16-6-7-19-9-12(15)17/h1-5,11H,6-9,14H2,(H2,15,17)(H,16,18)
InChIKeySSVDQKFLIASGLZ-UHFFFAOYSA-N
XLogP-0.83
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-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

(2R)-2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-phenylpropanamide
CID 106236520
(2S)-2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 106236638
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-benzyl-3-sulfanylidenepropanamide
CID 106237116
(2S)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-phenylpropanamide
CID 61275037
(2R)-2-amino-N-(2-phenoxyethyl)-3-phenylpropanamide
CID 78984684
(2S)-2-amino-N-(2-but-3-enoxyethyl)-3-phenylpropanamide
CID 106398265
2-amino-3-phenyl-N-(3-propoxypropyl)propanamide
CID 82942033
2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43153328
(2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide
CID 106310662
(2S)-2-amino-N-[(3R)-3-hydroxybutyl]-3-phenylpropanamide
CID 97183881
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
(2S)-2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-phenylpropanamide
CID 103795836

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-phenylpropanamide (CID 106236678) is 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-phenylpropanamide is NC(=O)COCCNC(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-phenylpropanamide?
The InChIKey is SSVDQKFLIASGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c14-11(8-10-4-2-1-3-5-10)13(18)16-6-7-19-9-12(15)17/h1-5,11H,6-9,14H2,(H2,15,17)(H,16,18).
What are the key properties of 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-phenylpropanamide?
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-phenylpropanamide has a molecular weight of 265.31 g/mol, XLogP of -0.83, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 106236678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).