(2S)-2-N-cyclopentyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

C18H25N3O3 — CID 1433458

IUPAC(2S)-2-N-cyclopentyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1cccc(NC(=O)N2CCC[C@H]2C(=O)NC2CCCC2)c1
InChIInChI=1S/C18H25N3O3/c1-24-15-9-4-8-14(12-15)20-18(23)21-11-5-10-16(21)17(22)19-13-6-2-3-7-13/h4,8-9,12-13,16H,2-3,5-7,10-11H2,1H3,(H,19,22)(H,20,23)/t16-/m0/s1
InChIKeyMTSXFNARUNHAPB-INIZCTEOSA-N
MW331.42 g/mol
LogP2.75
Rot. Bonds4

About (2S)-2-N-cyclopentyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

(2S)-2-N-cyclopentyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 1433458) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2S)-2-N-cyclopentyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-2-N-cyclopentyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID1433458
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(2S)-2-N-cyclopentyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1cccc(NC(=O)N2CCC[C@H]2C(=O)NC2CCCC2)c1
InChIInChI=1S/C18H25N3O3/c1-24-15-9-4-8-14(12-15)20-18(23)21-11-5-10-16(21)17(22)19-13-6-2-3-7-13/h4,8-9,12-13,16H,2-3,5-7,10-11H2,1H3,(H,19,22)(H,20,23)/t16-/m0/s1
InChIKeyMTSXFNARUNHAPB-INIZCTEOSA-N
XLogP2.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
methyl (2R)-1-[(3-methoxyphenyl)carbamoyl]piperidine-2-carboxylate
CID 115536153
(2R)-2-N-(4-fluorophenyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468879
(2R)-2-N-cyclopentyl-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1443076
(2S)-2-N-cyclopentyl-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1468810
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-methylpropyl)pyrrolidine-1,2-dicarboxamide
CID 646616
1-N-(3-methoxyphenyl)-2-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219782
1-N-(2-methoxyphenyl)-2-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219712

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-cyclopentyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-2-N-cyclopentyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (CID 1433458) is (2S)-2-N-cyclopentyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-2-N-cyclopentyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-2-N-cyclopentyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is COc1cccc(NC(=O)N2CCC[C@H]2C(=O)NC2CCCC2)c1.
What is the InChIKey of (2S)-2-N-cyclopentyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is MTSXFNARUNHAPB-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-24-15-9-4-8-14(12-15)20-18(23)21-11-5-10-16(21)17(22)19-13-6-2-3-7-13/h4,8-9,12-13,16H,2-3,5-7,10-11H2,1H3,(H,19,22)(H,20,23)/t16-/m0/s1.
What are the key properties of (2S)-2-N-cyclopentyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
(2S)-2-N-cyclopentyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-cyclopentyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 1433458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).