[2-(4-methoxyanilino)-2-oxoethyl] (1R,2R,3S,4S)-3-benzoylbicyclo[2.2.1]heptane-2-carboxylate

C24H25NO5 — CID 11936228

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] (1R,2R,3S,4S)-3-benzoylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCOc1ccc(NC(=O)COC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H25NO5/c1-29-19-11-9-18(10-12-19)25-20(26)14-30-24(28)22-17-8-7-16(13-17)21(22)23(27)15-5-3-2-4-6-15/h2-6,9-12,16-17,21-22H,7-8,13-14H2,1H3,(H,25,26)/t16-,17+,21-,22+/m0/s1
InChIKeyDFZNEHCMWBJGKF-DEVSCXNHSA-N
MW407.47 g/mol
LogP3.72
Rot. Bonds7

About [2-(4-methoxyanilino)-2-oxoethyl] (1R,2R,3S,4S)-3-benzoylbicyclo[2.2.1]heptane-2-carboxylate

[2-(4-methoxyanilino)-2-oxoethyl] (1R,2R,3S,4S)-3-benzoylbicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 11936228) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] (1R,2R,3S,4S)-3-benzoylbicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] (1R,2R,3S,4S)-3-benzoylbicyclo[2.2.1]heptane-2-carboxylate
PubChem CID11936228
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] (1R,2R,3S,4S)-3-benzoylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCOc1ccc(NC(=O)COC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H25NO5/c1-29-19-11-9-18(10-12-19)25-20(26)14-30-24(28)22-17-8-7-16(13-17)21(22)23(27)15-5-3-2-4-6-15/h2-6,9-12,16-17,21-22H,7-8,13-14H2,1H3,(H,25,26)/t16-,17+,21-,22+/m0/s1
InChIKeyDFZNEHCMWBJGKF-DEVSCXNHSA-N
XLogP3.72
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(4-methoxyanilino)-2-oxoethyl] (1R,2R,3S,4S)-3-benzoylbicyclo[2.2.1]heptane-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-ethylanilino)-2-oxoethyl] (1R,2S,3S,4S)-3-benzoylbicyclo[2.2.1]heptane-2-carboxylate
CID 11936231
[2-(4-methoxyanilino)-2-oxoethyl] (3S)-1-benzamido-5-oxopyrrolidine-3-carboxylate
CID 9166677
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
[2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 7448232
[2-(4-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2335957
[2-(4-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8587986
[2-(4-methoxyanilino)-2-oxoethyl] (3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 9166196
2-O-[2-(4-methoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505239
(1S,2R,4R,5S)-N-(4-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98237630
[2-(4-methoxyanilino)-2-oxoethyl] propanoate
CID 7851370
[2-oxo-2-(4-phenoxyanilino)ethyl] (1R,3R,6S,7R,9S)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 11936239
[2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate
CID 40763723

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] (1R,2R,3S,4S)-3-benzoylbicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] (1R,2R,3S,4S)-3-benzoylbicyclo[2.2.1]heptane-2-carboxylate (CID 11936228) is [2-(4-methoxyanilino)-2-oxoethyl] (1R,2R,3S,4S)-3-benzoylbicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] (1R,2R,3S,4S)-3-benzoylbicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] (1R,2R,3S,4S)-3-benzoylbicyclo[2.2.1]heptane-2-carboxylate is COc1ccc(NC(=O)COC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)c2ccccc2)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] (1R,2R,3S,4S)-3-benzoylbicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is DFZNEHCMWBJGKF-DEVSCXNHSA-N. The full InChI is InChI=1S/C24H25NO5/c1-29-19-11-9-18(10-12-19)25-20(26)14-30-24(28)22-17-8-7-16(13-17)21(22)23(27)15-5-3-2-4-6-15/h2-6,9-12,16-17,21-22H,7-8,13-14H2,1H3,(H,25,26)/t16-,17+,21-,22+/m0/s1.
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] (1R,2R,3S,4S)-3-benzoylbicyclo[2.2.1]heptane-2-carboxylate?
[2-(4-methoxyanilino)-2-oxoethyl] (1R,2R,3S,4S)-3-benzoylbicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 407.47 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] (1R,2R,3S,4S)-3-benzoylbicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 11936228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).