ethyl 3-anilino-2-phenyl-3-pyridin-2-ylpropanoate

C22H22N2O2 — CID 2803853

IUPACethyl 3-anilino-2-phenyl-3-pyridin-2-ylpropanoate
SMILESCCOC(=O)C(c1ccccc1)C(Nc1ccccc1)c1ccccn1
InChIInChI=1S/C22H22N2O2/c1-2-26-22(25)20(17-11-5-3-6-12-17)21(19-15-9-10-16-23-19)24-18-13-7-4-8-14-18/h3-16,20-21,24H,2H2,1H3
InChIKeyIONRWHILWJCPNA-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.58
Rot. Bonds7

About ethyl 3-anilino-2-phenyl-3-pyridin-2-ylpropanoate

ethyl 3-anilino-2-phenyl-3-pyridin-2-ylpropanoate (PubChem CID 2803853) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is ethyl 3-anilino-2-phenyl-3-pyridin-2-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-anilino-2-phenyl-3-pyridin-2-ylpropanoate
PubChem CID2803853
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Nameethyl 3-anilino-2-phenyl-3-pyridin-2-ylpropanoate
SMILESCCOC(=O)C(c1ccccc1)C(Nc1ccccc1)c1ccccn1
InChIInChI=1S/C22H22N2O2/c1-2-26-22(25)20(17-11-5-3-6-12-17)21(19-15-9-10-16-23-19)24-18-13-7-4-8-14-18/h3-16,20-21,24H,2H2,1H3
InChIKeyIONRWHILWJCPNA-UHFFFAOYSA-N
XLogP4.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(+/-)-threo-N-(3-Methylpyridine)methylphenidate
CID 52943482
(+/-)-threo-N-(2-Methylpyridine)methylphenidate
CID 52943483
(+/-)-threo-N-(4-Methylpyridine)methylphenidate
CID 52950138
Ethyl 2-benzyl-3-oxo-3-[(pyridin-3-ylmethyl)amino]propanoate
CID 22331237
Ethyl 3-(3,4-dichloroanilino)-2-phenyl-3-(2-pyridyl)propanoate
CID 2803865
benzyl N-[(R)-phenyl-[(1R,2R)-2-(pyridin-2-ylmethylcarbamoyl)cyclopropyl]methyl]carbamate
CID 3247268
N-(2,6-Diisopropyl-phenyl)-2-pyridin-2-yl-malonamic acid dodecyl ester
CID 9827621
2-Pyridin-2-yl-N-(2,4,6-triisopropyl-phenyl)-malonamic acid dodecyl ester
CID 10721395
Ethyl 3-benzyl-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate
CID 16188669
Ethyl 4-(2-phenylethyl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxylate
CID 16190550
3-[4-(1-Benzyl-1H-pyrrol-2-yl)-phenyl]-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid ethyl ester
CID 44363458
(3S,6S)-6-Benzhydryl-N-(pyridin-2-ylmethyl)tetrahydro-2H-pyran-3-amine
CID 52951725

Frequently Asked Questions

What is the IUPAC name of ethyl 3-anilino-2-phenyl-3-pyridin-2-ylpropanoate?
The IUPAC name of ethyl 3-anilino-2-phenyl-3-pyridin-2-ylpropanoate (CID 2803853) is ethyl 3-anilino-2-phenyl-3-pyridin-2-ylpropanoate.
What is the SMILES notation for ethyl 3-anilino-2-phenyl-3-pyridin-2-ylpropanoate?
The canonical SMILES for ethyl 3-anilino-2-phenyl-3-pyridin-2-ylpropanoate is CCOC(=O)C(c1ccccc1)C(Nc1ccccc1)c1ccccn1.
What is the InChIKey of ethyl 3-anilino-2-phenyl-3-pyridin-2-ylpropanoate?
The InChIKey is IONRWHILWJCPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-2-26-22(25)20(17-11-5-3-6-12-17)21(19-15-9-10-16-23-19)24-18-13-7-4-8-14-18/h3-16,20-21,24H,2H2,1H3.
What are the key properties of ethyl 3-anilino-2-phenyl-3-pyridin-2-ylpropanoate?
ethyl 3-anilino-2-phenyl-3-pyridin-2-ylpropanoate has a molecular weight of 346.43 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-anilino-2-phenyl-3-pyridin-2-ylpropanoate is sourced from PubChem (CID 2803853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).