2-[(2-amino-1-phenylethyl)-ethylamino]acetamide

C12H19N3O — CID 103101334

IUPAC2-[(2-amino-1-phenylethyl)-ethylamino]acetamide
SMILESCCN(CC(N)=O)C(CN)c1ccccc1
InChIInChI=1S/C12H19N3O/c1-2-15(9-12(14)16)11(8-13)10-6-4-3-5-7-10/h3-7,11H,2,8-9,13H2,1H3,(H2,14,16)
InChIKeyDTBVRBAJVJCEOJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.49
Rot. Bonds6

About 2-[(2-amino-1-phenylethyl)-ethylamino]acetamide

2-[(2-amino-1-phenylethyl)-ethylamino]acetamide (PubChem CID 103101334) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[(2-amino-1-phenylethyl)-ethylamino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-1-phenylethyl)-ethylamino]acetamide
PubChem CID103101334
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[(2-amino-1-phenylethyl)-ethylamino]acetamide
SMILESCCN(CC(N)=O)C(CN)c1ccccc1
InChIInChI=1S/C12H19N3O/c1-2-15(9-12(14)16)11(8-13)10-6-4-3-5-7-10/h3-7,11H,2,8-9,13H2,1H3,(H2,14,16)
InChIKeyDTBVRBAJVJCEOJ-UHFFFAOYSA-N
XLogP0.49
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-1-phenylethyl)-(2-methylpropyl)amino]acetamide
CID 55017214
2-[[2-amino-1-(4-chlorophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62921858
3-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-phenylpropanamide
CID 62877301
(2R)-2-(diethylamino)-2-phenylethanol
CID 13119692
2-[ethyl-(3-methyl-1-phenylbutyl)amino]acetic acid
CID 65063538
2-[(3-amino-1-phenylpropyl)-methylamino]acetamide
CID 62780025
2-[ethyl-(1-oxo-1-phenylpropan-2-yl)amino]acetamide
CID 103103066
4-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methoxybutanamide;dihydrochloride
CID 120586284
3-amino-N-(2-amino-2-oxoethyl)-2-phenyl-N-propan-2-ylpropanamide
CID 62877996
2-[[2-amino-1-(3-bromophenyl)ethyl]-(2-methylpropyl)amino]acetamide
CID 55018046
2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
CID 43444924
2-[(3-amino-2-phenylpropyl)-methylamino]acetamide
CID 43532171

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-phenylethyl)-ethylamino]acetamide?
The IUPAC name of 2-[(2-amino-1-phenylethyl)-ethylamino]acetamide (CID 103101334) is 2-[(2-amino-1-phenylethyl)-ethylamino]acetamide.
What is the SMILES notation for 2-[(2-amino-1-phenylethyl)-ethylamino]acetamide?
The canonical SMILES for 2-[(2-amino-1-phenylethyl)-ethylamino]acetamide is CCN(CC(N)=O)C(CN)c1ccccc1.
What is the InChIKey of 2-[(2-amino-1-phenylethyl)-ethylamino]acetamide?
The InChIKey is DTBVRBAJVJCEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-15(9-12(14)16)11(8-13)10-6-4-3-5-7-10/h3-7,11H,2,8-9,13H2,1H3,(H2,14,16).
What are the key properties of 2-[(2-amino-1-phenylethyl)-ethylamino]acetamide?
2-[(2-amino-1-phenylethyl)-ethylamino]acetamide has a molecular weight of 221.30 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-phenylethyl)-ethylamino]acetamide is sourced from PubChem (CID 103101334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).