(2R)-2-N-(1-adamantyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

C23H31N3O3 — CID 7406171

IUPAC(2R)-2-N-(1-adamantyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1cccc(NC(=O)N2CCC[C@@H]2C(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C23H31N3O3/c1-29-19-5-2-4-18(11-19)24-22(28)26-7-3-6-20(26)21(27)25-23-12-15-8-16(13-23)10-17(9-15)14-23/h2,4-5,11,15-17,20H,3,6-10,12-14H2,1H3,(H,24,28)(H,25,27)/t15?,16?,17?,20-,23?/m1/s1
InChIKeyNCOKLZMITKAOFC-LZGZYFLISA-N
MW397.52 g/mol
LogP3.78
Rot. Bonds4

About (2R)-2-N-(1-adamantyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

(2R)-2-N-(1-adamantyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 7406171) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is (2R)-2-N-(1-adamantyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-2-N-(1-adamantyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID7406171
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name(2R)-2-N-(1-adamantyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1cccc(NC(=O)N2CCC[C@@H]2C(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C23H31N3O3/c1-29-19-5-2-4-18(11-19)24-22(28)26-7-3-6-20(26)21(27)25-23-12-15-8-16(13-23)10-17(9-15)14-23/h2,4-5,11,15-17,20H,3,6-10,12-14H2,1H3,(H,24,28)(H,25,27)/t15?,16?,17?,20-,23?/m1/s1
InChIKeyNCOKLZMITKAOFC-LZGZYFLISA-N
XLogP3.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-N-(1-adamantyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide 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

(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
(2R)-2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 51552699
2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 24792717
(2S)-2-N-cyclopentyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1433458
(2R)-2-N-(4-fluorophenyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468879
1-N-(3-methoxyphenyl)-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
CID 646616
1-N-(3-methoxyphenyl)-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide
CID 4998458
(2R)-2-N-(4-acetylphenyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 51426368
1-N-(3-methoxyphenyl)-2-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219782
methyl (2R)-1-[(3-methoxyphenyl)carbamoyl]piperidine-2-carboxylate
CID 115536153
1-N-(2-methoxyphenyl)-2-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219712
(2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1433453

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-(1-adamantyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-2-N-(1-adamantyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (CID 7406171) is (2R)-2-N-(1-adamantyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-2-N-(1-adamantyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-2-N-(1-adamantyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is COc1cccc(NC(=O)N2CCC[C@@H]2C(=O)NC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of (2R)-2-N-(1-adamantyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is NCOKLZMITKAOFC-LZGZYFLISA-N. The full InChI is InChI=1S/C23H31N3O3/c1-29-19-5-2-4-18(11-19)24-22(28)26-7-3-6-20(26)21(27)25-23-12-15-8-16(13-23)10-17(9-15)14-23/h2,4-5,11,15-17,20H,3,6-10,12-14H2,1H3,(H,24,28)(H,25,27)/t15?,16?,17?,20-,23?/m1/s1.
What are the key properties of (2R)-2-N-(1-adamantyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
(2R)-2-N-(1-adamantyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 397.52 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-(1-adamantyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 7406171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).