2-[[(2R)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoyl]amino]ethyl-dimethylazanium

C27H32N3O2+ — CID 2366827

IUPAC2-[[(2R)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoyl]amino]ethyl-dimethylazanium
SMILESC[NH+](C)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H31N3O2/c1-30(2)19-18-28-26(31)24(20-21-12-6-3-7-13-21)29-27(32)25(22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,24-25H,18-20H2,1-2H3,(H,28,31)(H,29,32)/p+1/t24-/m1/s1
InChIKeyQOSBUNRGSICKEF-XMMPIXPASA-O
MW430.57 g/mol
LogP1.81
Rot. Bonds10

About 2-[[(2R)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoyl]amino]ethyl-dimethylazanium

2-[[(2R)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoyl]amino]ethyl-dimethylazanium (PubChem CID 2366827) has the molecular formula C27H32N3O2+ and a molecular weight of 430.57 g/mol. Its IUPAC name is 2-[[(2R)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoyl]amino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[[(2R)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoyl]amino]ethyl-dimethylazanium
PubChem CID2366827
Molecular FormulaC27H32N3O2+
Molecular Weight430.57 g/mol
Exact Mass430.25
IUPAC Name2-[[(2R)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoyl]amino]ethyl-dimethylazanium
SMILESC[NH+](C)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H31N3O2/c1-30(2)19-18-28-26(31)24(20-21-12-6-3-7-13-21)29-27(32)25(22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,24-25H,18-20H2,1-2H3,(H,28,31)(H,29,32)/p+1/t24-/m1/s1
InChIKeyQOSBUNRGSICKEF-XMMPIXPASA-O
XLogP1.81
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[[(2R)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoyl]amino]ethyl-dimethylazanium with MolForge

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Related Compounds

(2S)-N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide
CID 10949332
methyl (2S)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoate
CID 6992952
(2R)-2-[(2,2-diphenylacetyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 2666614
2,2-diphenyl-N-[(2R)-1-phenylpropan-2-yl]acetamide
CID 1375536
(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
N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide
CID 3523242
2-acetamido-N-(2-fluoroethyl)-3-phenylpropanamide
CID 75581237
N-(3,3-diphenylpropyl)-3-phenyl-2-[(2-phenylacetyl)amino]propanamide
CID 42696967
methyl 3-[[(2S)-2-[(2,2-diphenylacetyl)amino]-4-methylpentanoyl]amino]-2-oxo-4-phenylbutanoate
CID 24901430
ethyl (2S)-2-[[(2S)-2-[(2,2-diphenylacetyl)amino]-4-methylpentanoyl]amino]-3-phenylpropanoate
CID 131719396
(2R)-3-[3-(aminomethyl)-5-methylphenyl]-N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]propanamide
CID 102024306
N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)-3-phenylpropan-2-yl]-2,2-diphenylacetamide
CID 41094026

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoyl]amino]ethyl-dimethylazanium?
The IUPAC name of 2-[[(2R)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoyl]amino]ethyl-dimethylazanium (CID 2366827) is 2-[[(2R)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoyl]amino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[[(2R)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoyl]amino]ethyl-dimethylazanium?
The canonical SMILES for 2-[[(2R)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoyl]amino]ethyl-dimethylazanium is C[NH+](C)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[(2R)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoyl]amino]ethyl-dimethylazanium?
The InChIKey is QOSBUNRGSICKEF-XMMPIXPASA-O. The full InChI is InChI=1S/C27H31N3O2/c1-30(2)19-18-28-26(31)24(20-21-12-6-3-7-13-21)29-27(32)25(22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,24-25H,18-20H2,1-2H3,(H,28,31)(H,29,32)/p+1/t24-/m1/s1.
What are the key properties of 2-[[(2R)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoyl]amino]ethyl-dimethylazanium?
2-[[(2R)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoyl]amino]ethyl-dimethylazanium has a molecular weight of 430.57 g/mol, XLogP of 1.81, 10 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoyl]amino]ethyl-dimethylazanium is sourced from PubChem (CID 2366827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).