2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide

C18H21N3O2 — CID 3511221

IUPAC2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide
SMILESNC(=O)C(Cc1ccccc1)NC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C18H21N3O2/c19-15(11-13-7-3-1-4-8-13)18(23)21-16(17(20)22)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H2,20,22)(H,21,23)
InChIKeyXXPXQEQOAZMUDD-UHFFFAOYSA-N
MW311.38 g/mol
LogP0.77
Rot. Bonds7

About 2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide

2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide (PubChem CID 3511221) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide
PubChem CID3511221
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide
SMILESNC(=O)C(Cc1ccccc1)NC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C18H21N3O2/c19-15(11-13-7-3-1-4-8-13)18(23)21-16(17(20)22)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H2,20,22)(H,21,23)
InChIKeyXXPXQEQOAZMUDD-UHFFFAOYSA-N
XLogP0.77
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)butanamide
CID 5077890
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutanamide
CID 14991605
(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 6426953
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 7016090
(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanamide
CID 134827658
2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide
CID 119306654
(2S)-2-amino-N-[2-[[(2S)-1-[[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-3-phenylpropanamide
CID 102315829
(2R)-2-amino-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 11059230
(2R)-2-amino-N-[(2S)-1-[2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]ethylamino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 10841941
methyl (2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 10663892
2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 15923651
(2S)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide
CID 89117809

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide?
The IUPAC name of 2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide (CID 3511221) is 2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide is NC(=O)C(Cc1ccccc1)NC(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide?
The InChIKey is XXPXQEQOAZMUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c19-15(11-13-7-3-1-4-8-13)18(23)21-16(17(20)22)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H2,20,22)(H,21,23).
What are the key properties of 2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide?
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide has a molecular weight of 311.38 g/mol, XLogP of 0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 3511221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).