(2S)-2-amino-N-[4-(2-aminoethyl)phenyl]-2-phenylacetamide

C16H19N3O — CID 67245807

IUPAC(2S)-2-amino-N-[4-(2-aminoethyl)phenyl]-2-phenylacetamide
SMILESNCCc1ccc(NC(=O)[C@@H](N)c2ccccc2)cc1
InChIInChI=1S/C16H19N3O/c17-11-10-12-6-8-14(9-7-12)19-16(20)15(18)13-4-2-1-3-5-13/h1-9,15H,10-11,17-18H2,(H,19,20)/t15-/m0/s1
InChIKeyHPNHQXDEDJTTHA-HNNXBMFYSA-N
MW269.35 g/mol
LogP1.83
Rot. Bonds5

About (2S)-2-amino-N-[4-(2-aminoethyl)phenyl]-2-phenylacetamide

(2S)-2-amino-N-[4-(2-aminoethyl)phenyl]-2-phenylacetamide (PubChem CID 67245807) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(2-aminoethyl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(2-aminoethyl)phenyl]-2-phenylacetamide
PubChem CID67245807
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(2S)-2-amino-N-[4-(2-aminoethyl)phenyl]-2-phenylacetamide
SMILESNCCc1ccc(NC(=O)[C@@H](N)c2ccccc2)cc1
InChIInChI=1S/C16H19N3O/c17-11-10-12-6-8-14(9-7-12)19-16(20)15(18)13-4-2-1-3-5-13/h1-9,15H,10-11,17-18H2,(H,19,20)/t15-/m0/s1
InChIKeyHPNHQXDEDJTTHA-HNNXBMFYSA-N
XLogP1.83
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-chlorophenyl)-2-phenylacetamide
CID 24702199
2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-2-phenylacetamide;hydrochloride
CID 119303626
4-[[(2S)-2-amino-2-phenylacetyl]amino]benzamide
CID 22691729
(2R)-N-(4-acetylphenyl)-2-amino-2-phenylacetamide
CID 61259858
2-amino-N-(4-butan-2-ylphenyl)-2-phenylacetamide
CID 43702131
(2S)-2-amino-N-(4-butan-2-ylphenyl)-2-phenylacetamide
CID 104897241
(2R)-2-amino-N-(4-methylsulfonylphenyl)-2-phenylacetamide
CID 61148899
2-amino-N-[4-(cyclopentyloxymethyl)phenyl]-2-phenylacetamide;hydrochloride
CID 119330112
N-[4-(2-aminoethyl)phenyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103308990
(2R)-2-amino-N-(3-bromo-4-fluorophenyl)-2-phenylacetamide
CID 103794894
2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylacetamide
CID 119844839
2-amino-2-(4-fluorophenyl)-N-phenylacetamide
CID 123261896

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(2-aminoethyl)phenyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-[4-(2-aminoethyl)phenyl]-2-phenylacetamide (CID 67245807) is (2S)-2-amino-N-[4-(2-aminoethyl)phenyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-[4-(2-aminoethyl)phenyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-[4-(2-aminoethyl)phenyl]-2-phenylacetamide is NCCc1ccc(NC(=O)[C@@H](N)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-amino-N-[4-(2-aminoethyl)phenyl]-2-phenylacetamide?
The InChIKey is HPNHQXDEDJTTHA-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-11-10-12-6-8-14(9-7-12)19-16(20)15(18)13-4-2-1-3-5-13/h1-9,15H,10-11,17-18H2,(H,19,20)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-(2-aminoethyl)phenyl]-2-phenylacetamide?
(2S)-2-amino-N-[4-(2-aminoethyl)phenyl]-2-phenylacetamide has a molecular weight of 269.35 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(2-aminoethyl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 67245807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).