2-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-phenylacetamide

C14H21N3O2 — CID 60946442

IUPAC2-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-phenylacetamide
SMILESCCCCN(CC(N)=O)C(=O)C(N)c1ccccc1
InChIInChI=1S/C14H21N3O2/c1-2-3-9-17(10-12(15)18)14(19)13(16)11-7-5-4-6-8-11/h4-8,13H,2-3,9-10,16H2,1H3,(H2,15,18)
InChIKeyNMEHQLZODPYXMD-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.80
Rot. Bonds7

About 2-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-phenylacetamide

2-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-phenylacetamide (PubChem CID 60946442) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-phenylacetamide.

Molecular Properties

Compound Name2-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-phenylacetamide
PubChem CID60946442
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-phenylacetamide
SMILESCCCCN(CC(N)=O)C(=O)C(N)c1ccccc1
InChIInChI=1S/C14H21N3O2/c1-2-3-9-17(10-12(15)18)14(19)13(16)11-7-5-4-6-8-11/h4-8,13H,2-3,9-10,16H2,1H3,(H2,15,18)
InChIKeyNMEHQLZODPYXMD-UHFFFAOYSA-N
XLogP0.80
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-butyl-N-(2-hydroxyethyl)-2-phenylacetamide
CID 54870866
N-(2-amino-2-oxoethyl)-N-butyl-2-cyano-2-phenylacetamide
CID 62878068
(2R)-2-amino-N-butyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide
CID 61164511
methyl 2-[[(2S)-2-amino-2-phenylacetyl]-propylamino]acetate
CID 93371927
2-amino-N-butan-2-yl-N-butyl-2-phenylacetamide
CID 54870822
(2R)-2-amino-N-[2-oxo-2-(propylamino)ethyl]-2-phenyl-N-propylacetamide
CID 61163404
3-amino-N,N-dibutyl-2-phenyl-3-sulfanylidenepropanamide
CID 62876706
2-amino-N-(2-amino-2-oxoethyl)-N-butylbutanamide
CID 60946996
(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3-methylbutanamide
CID 79013579
2-amino-N-ethyl-N-(2-hydroxyethyl)-2-phenylacetamide;hydrochloride
CID 110897047
3-[(2-amino-2-phenylacetyl)-ethylamino]propanoic acid
CID 55060067
2-[[(2R)-2-amino-2-phenylacetyl]-(2-methoxyethyl)amino]acetic acid
CID 79272062

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-phenylacetamide?
The IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-phenylacetamide (CID 60946442) is 2-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-phenylacetamide.
What is the SMILES notation for 2-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-phenylacetamide?
The canonical SMILES for 2-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-phenylacetamide is CCCCN(CC(N)=O)C(=O)C(N)c1ccccc1.
What is the InChIKey of 2-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-phenylacetamide?
The InChIKey is NMEHQLZODPYXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-3-9-17(10-12(15)18)14(19)13(16)11-7-5-4-6-8-11/h4-8,13H,2-3,9-10,16H2,1H3,(H2,15,18).
What are the key properties of 2-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-phenylacetamide?
2-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-phenylacetamide has a molecular weight of 263.34 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-phenylacetamide is sourced from PubChem (CID 60946442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).