(2S)-1-N-cyclohexyl-2-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

C19H27N3O3 — CID 1468739

IUPAC(2S)-1-N-cyclohexyl-2-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C19H27N3O3/c1-25-17-12-6-5-10-15(17)21-18(23)16-11-7-13-22(16)19(24)20-14-8-3-2-4-9-14/h5-6,10,12,14,16H,2-4,7-9,11,13H2,1H3,(H,20,24)(H,21,23)/t16-/m0/s1
InChIKeyJUOWGXJHGXMOEO-INIZCTEOSA-N
MW345.44 g/mol
LogP3.14
Rot. Bonds4

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

(2S)-1-N-cyclohexyl-2-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 1468739) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (2S)-1-N-cyclohexyl-2-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N-cyclohexyl-2-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID1468739
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(2S)-1-N-cyclohexyl-2-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C19H27N3O3/c1-25-17-12-6-5-10-15(17)21-18(23)16-11-7-13-22(16)19(24)20-14-8-3-2-4-9-14/h5-6,10,12,14,16H,2-4,7-9,11,13H2,1H3,(H,20,24)(H,21,23)/t16-/m0/s1
InChIKeyJUOWGXJHGXMOEO-INIZCTEOSA-N
XLogP3.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-N-(2,4-dimethoxyphenyl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468706
(2R)-1-N-cyclohexyl-2-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468740
(2R)-2-N-(2,6-dimethylphenyl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468862
2-N-(2,6-dimethylphenyl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219774
phenyl (2R)-2-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 800862
1-N-(2-methoxyphenyl)-2-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219712
2-N-(1,3-benzodioxol-5-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 646276
2-N-[(2-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 647975
(2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468858
1-N-(2-methoxyphenyl)-2-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 42758057
(2S)-2-N-cyclopentyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1433458
N-cyclohexyl-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 40588524

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-cyclohexyl-2-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N-cyclohexyl-2-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (CID 1468739) is (2S)-1-N-cyclohexyl-2-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N-cyclohexyl-2-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N-cyclohexyl-2-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is COc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)NC1CCCCC1.
What is the InChIKey of (2S)-1-N-cyclohexyl-2-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is JUOWGXJHGXMOEO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-25-17-12-6-5-10-15(17)21-18(23)16-11-7-13-22(16)19(24)20-14-8-3-2-4-9-14/h5-6,10,12,14,16H,2-4,7-9,11,13H2,1H3,(H,20,24)(H,21,23)/t16-/m0/s1.
What are the key properties of (2S)-1-N-cyclohexyl-2-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
(2S)-1-N-cyclohexyl-2-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 345.44 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-cyclohexyl-2-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 1468739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).