2-[2-(2-amino-2-oxoethoxy)ethylamino]-N-phenylpropanamide

C13H19N3O3 — CID 106237657

IUPAC2-[2-(2-amino-2-oxoethoxy)ethylamino]-N-phenylpropanamide
SMILESCC(NCCOCC(N)=O)C(=O)Nc1ccccc1
InChIInChI=1S/C13H19N3O3/c1-10(15-7-8-19-9-12(14)17)13(18)16-11-5-3-2-4-6-11/h2-6,10,15H,7-9H2,1H3,(H2,14,17)(H,16,18)
InChIKeyXXWPYIGNMTUTOV-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.11
Rot. Bonds8

About 2-[2-(2-amino-2-oxoethoxy)ethylamino]-N-phenylpropanamide

2-[2-(2-amino-2-oxoethoxy)ethylamino]-N-phenylpropanamide (PubChem CID 106237657) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[2-(2-amino-2-oxoethoxy)ethylamino]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[2-(2-amino-2-oxoethoxy)ethylamino]-N-phenylpropanamide
PubChem CID106237657
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[2-(2-amino-2-oxoethoxy)ethylamino]-N-phenylpropanamide
SMILESCC(NCCOCC(N)=O)C(=O)Nc1ccccc1
InChIInChI=1S/C13H19N3O3/c1-10(15-7-8-19-9-12(14)17)13(18)16-11-5-3-2-4-6-11/h2-6,10,15H,7-9H2,1H3,(H2,14,17)(H,16,18)
InChIKeyXXWPYIGNMTUTOV-UHFFFAOYSA-N
XLogP0.11
TPSA93.45 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 ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(octylamino)-N-phenylpropanamide
CID 78914372
N-phenyl-2-(2-phenylethylamino)propanamide
CID 43083341
N-phenyl-2-[2-(propan-2-ylamino)ethoxy]propanamide
CID 62343791
2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-phenylpropanamide
CID 62842763
2-(benzylamino)-N-phenylpropanamide
CID 4877973
(2S)-2-(benzylamino)-N-phenylpropanamide
CID 2443956
2-[2-[1-(2-methoxyphenyl)ethylamino]ethoxy]acetamide
CID 106235715
2-(pent-4-ynylamino)-N-phenylpropanamide
CID 103711267
2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-phenylpropanamide
CID 115574236
2-(3-cyclopropylpropylamino)-N-phenylpropanamide
CID 115638960
(2R)-2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-phenylpropanamide
CID 106236520
N-phenyl-2-(5,5,5-trifluoropentylamino)propanamide
CID 115496240

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-2-oxoethoxy)ethylamino]-N-phenylpropanamide?
The IUPAC name of 2-[2-(2-amino-2-oxoethoxy)ethylamino]-N-phenylpropanamide (CID 106237657) is 2-[2-(2-amino-2-oxoethoxy)ethylamino]-N-phenylpropanamide.
What is the SMILES notation for 2-[2-(2-amino-2-oxoethoxy)ethylamino]-N-phenylpropanamide?
The canonical SMILES for 2-[2-(2-amino-2-oxoethoxy)ethylamino]-N-phenylpropanamide is CC(NCCOCC(N)=O)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-(2-amino-2-oxoethoxy)ethylamino]-N-phenylpropanamide?
The InChIKey is XXWPYIGNMTUTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-10(15-7-8-19-9-12(14)17)13(18)16-11-5-3-2-4-6-11/h2-6,10,15H,7-9H2,1H3,(H2,14,17)(H,16,18).
What are the key properties of 2-[2-(2-amino-2-oxoethoxy)ethylamino]-N-phenylpropanamide?
2-[2-(2-amino-2-oxoethoxy)ethylamino]-N-phenylpropanamide has a molecular weight of 265.31 g/mol, XLogP of 0.11, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-2-oxoethoxy)ethylamino]-N-phenylpropanamide is sourced from PubChem (CID 106237657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).