ethyl 2-[(4-phenylbenzoyl)amino]-3-pyridin-2-ylpropanoate

C23H22N2O3 — CID 119035446

IUPACethyl 2-[(4-phenylbenzoyl)amino]-3-pyridin-2-ylpropanoate
SMILESCCOC(=O)C(Cc1ccccn1)NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H22N2O3/c1-2-28-23(27)21(16-20-10-6-7-15-24-20)25-22(26)19-13-11-18(12-14-19)17-8-4-3-5-9-17/h3-15,21H,2,16H2,1H3,(H,25,26)
InChIKeyXWONAVNJTWVMEV-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.65
Rot. Bonds7

About ethyl 2-[(4-phenylbenzoyl)amino]-3-pyridin-2-ylpropanoate

ethyl 2-[(4-phenylbenzoyl)amino]-3-pyridin-2-ylpropanoate (PubChem CID 119035446) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is ethyl 2-[(4-phenylbenzoyl)amino]-3-pyridin-2-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-[(4-phenylbenzoyl)amino]-3-pyridin-2-ylpropanoate
PubChem CID119035446
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Nameethyl 2-[(4-phenylbenzoyl)amino]-3-pyridin-2-ylpropanoate
SMILESCCOC(=O)C(Cc1ccccn1)NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H22N2O3/c1-2-28-23(27)21(16-20-10-6-7-15-24-20)25-22(26)19-13-11-18(12-14-19)17-8-4-3-5-9-17/h3-15,21H,2,16H2,1H3,(H,25,26)
InChIKeyXWONAVNJTWVMEV-UHFFFAOYSA-N
XLogP3.65
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[4-[4-[(1-ethoxy-1-oxo-3-sulfanylpropan-2-yl)carbamoyl]phenyl]benzoyl]amino]-3-sulfanylpropanoate
CID 58451974
ethyl 2-[(4-methylbenzoyl)amino]-4,4-diphenylbutanoate
CID 175573876
ethyl (2R)-2-amino-3-pyridin-2-ylpropanoate
CID 57496737
2-(ethylamino)-3-pyridin-2-ylpropanoic acid
CID 83698578
(2S)-2-(carboxyamino)-3-pyridin-2-ylpropanoic acid
CID 90150229
2-(propanoylamino)-3-pyridin-2-ylpropanoic acid
CID 141086627
ethyl 2-benzamido-4-methylpentanoate
CID 12773376
ethyl (2S)-2-[[(3S)-3-(2,4-difluorophenyl)butanoyl]amino]-3-pyridin-2-ylpropanoate
CID 100633754
ethyl 3-hydroxy-2-(pyridine-2-carbonylamino)propanoate
CID 70817337
(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 126627406
ethyl (2R)-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-pyridin-2-ylpropanoate
CID 100633701
ethyl 2-[(4-nitrobenzoyl)amino]-3-phenylpropanoate
CID 12607993

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-phenylbenzoyl)amino]-3-pyridin-2-ylpropanoate?
The IUPAC name of ethyl 2-[(4-phenylbenzoyl)amino]-3-pyridin-2-ylpropanoate (CID 119035446) is ethyl 2-[(4-phenylbenzoyl)amino]-3-pyridin-2-ylpropanoate.
What is the SMILES notation for ethyl 2-[(4-phenylbenzoyl)amino]-3-pyridin-2-ylpropanoate?
The canonical SMILES for ethyl 2-[(4-phenylbenzoyl)amino]-3-pyridin-2-ylpropanoate is CCOC(=O)C(Cc1ccccn1)NC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethyl 2-[(4-phenylbenzoyl)amino]-3-pyridin-2-ylpropanoate?
The InChIKey is XWONAVNJTWVMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-2-28-23(27)21(16-20-10-6-7-15-24-20)25-22(26)19-13-11-18(12-14-19)17-8-4-3-5-9-17/h3-15,21H,2,16H2,1H3,(H,25,26).
What are the key properties of ethyl 2-[(4-phenylbenzoyl)amino]-3-pyridin-2-ylpropanoate?
ethyl 2-[(4-phenylbenzoyl)amino]-3-pyridin-2-ylpropanoate has a molecular weight of 374.44 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-phenylbenzoyl)amino]-3-pyridin-2-ylpropanoate is sourced from PubChem (CID 119035446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).