(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropyl]amino]propanoyl]amino]-N-ethylbutanamide

C18H30N4O2 — CID 59297755

IUPAC(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropyl]amino]propanoyl]amino]-N-ethylbutanamide
SMILESCCNC(=O)[C@H](CC)NC(=O)[C@H](C)NC[C@@H](N)Cc1ccccc1
InChIInChI=1S/C18H30N4O2/c1-4-16(18(24)20-5-2)22-17(23)13(3)21-12-15(19)11-14-9-7-6-8-10-14/h6-10,13,15-16,21H,4-5,11-12,19H2,1-3H3,(H,20,24)(H,22,23)/t13-,15-,16-/m0/s1
InChIKeySAQMBLCRSHXUAE-BPUTZDHNSA-N
MW334.46 g/mol
LogP0.57
Rot. Bonds10

About (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropyl]amino]propanoyl]amino]-N-ethylbutanamide

(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropyl]amino]propanoyl]amino]-N-ethylbutanamide (PubChem CID 59297755) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropyl]amino]propanoyl]amino]-N-ethylbutanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropyl]amino]propanoyl]amino]-N-ethylbutanamide
PubChem CID59297755
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropyl]amino]propanoyl]amino]-N-ethylbutanamide
SMILESCCNC(=O)[C@H](CC)NC(=O)[C@H](C)NC[C@@H](N)Cc1ccccc1
InChIInChI=1S/C18H30N4O2/c1-4-16(18(24)20-5-2)22-17(23)13(3)21-12-15(19)11-14-9-7-6-8-10-14/h6-10,13,15-16,21H,4-5,11-12,19H2,1-3H3,(H,20,24)(H,22,23)/t13-,15-,16-/m0/s1
InChIKeySAQMBLCRSHXUAE-BPUTZDHNSA-N
XLogP0.57
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropyl]amino]propanoyl]amino]-N-ethylbutanamide with MolForge

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Related Compounds

(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropyl]amino]propanoyl]amino]-N-ethyl-3-methylbutanamide
CID 59297631
(2S)-2-[[(2S)-2-[[(2R)-2-aminohexyl]amino]propanoyl]amino]-N-ethylbutanamide
CID 87506133
N-ethyl-2-methyl-3-phenylpropanamide
CID 58846627
2-amino-N-[1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-3,3-dimethylbutanamide
CID 21062343
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(3,5-difluorophenyl)propyl]amino]propanoyl]amino]-N-ethyl-3-methylbutanamide
CID 59298077
(2S)-2-[[(2S)-1-[[(2R)-2-amino-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoylamino]-4-methylpentanoic acid
CID 44572381
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2R)-N-ethyl-2-(methylamino)-3-phenylpropanamide
CID 10608375
2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoic acid
CID 68969553
2-(2-aminopropanoylamino)-3-phenylpropanoic acid
CID 2080
2-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 55108121
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-ethylbutanamide;hydrochloride
CID 158763215

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropyl]amino]propanoyl]amino]-N-ethylbutanamide?
The IUPAC name of (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropyl]amino]propanoyl]amino]-N-ethylbutanamide (CID 59297755) is (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropyl]amino]propanoyl]amino]-N-ethylbutanamide.
What is the SMILES notation for (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropyl]amino]propanoyl]amino]-N-ethylbutanamide?
The canonical SMILES for (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropyl]amino]propanoyl]amino]-N-ethylbutanamide is CCNC(=O)[C@H](CC)NC(=O)[C@H](C)NC[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropyl]amino]propanoyl]amino]-N-ethylbutanamide?
The InChIKey is SAQMBLCRSHXUAE-BPUTZDHNSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-4-16(18(24)20-5-2)22-17(23)13(3)21-12-15(19)11-14-9-7-6-8-10-14/h6-10,13,15-16,21H,4-5,11-12,19H2,1-3H3,(H,20,24)(H,22,23)/t13-,15-,16-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropyl]amino]propanoyl]amino]-N-ethylbutanamide?
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropyl]amino]propanoyl]amino]-N-ethylbutanamide has a molecular weight of 334.46 g/mol, XLogP of 0.57, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropyl]amino]propanoyl]amino]-N-ethylbutanamide is sourced from PubChem (CID 59297755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).