(2S)-2-N-tert-butyl-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

C17H25N3O3 — CID 1468915

IUPAC(2S)-2-N-tert-butyl-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCC[C@H]2C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C17H25N3O3/c1-17(2,3)19-15(21)14-6-5-11-20(14)16(22)18-12-7-9-13(23-4)10-8-12/h7-10,14H,5-6,11H2,1-4H3,(H,18,22)(H,19,21)/t14-/m0/s1
InChIKeyYHPNHKYATZCZBQ-AWEZNQCLSA-N
MW319.40 g/mol
LogP2.61
Rot. Bonds3

About (2S)-2-N-tert-butyl-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

(2S)-2-N-tert-butyl-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 1468915) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is (2S)-2-N-tert-butyl-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-2-N-tert-butyl-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID1468915
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name(2S)-2-N-tert-butyl-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCC[C@H]2C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C17H25N3O3/c1-17(2,3)19-15(21)14-6-5-11-20(14)16(22)18-12-7-9-13(23-4)10-8-12/h7-10,14H,5-6,11H2,1-4H3,(H,18,22)(H,19,21)/t14-/m0/s1
InChIKeyYHPNHKYATZCZBQ-AWEZNQCLSA-N
XLogP2.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-N-(4-acetamidophenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468944
2-N-(4-acetylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 43814291
1-N-(4-methoxyphenyl)-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
CID 3219657
tert-butyl 2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 2876068
tert-butyl (2R)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 797689
2-N-(2,3-dimethylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 24792294
(2R)-1-N-cyclohexyl-2-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468740
2-N-(2-methoxy-5-methylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 43814288
2-N-[(4-methoxyphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 43814318
2-N-tert-butyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3697683
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-tert-butyl-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-2-N-tert-butyl-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (CID 1468915) is (2S)-2-N-tert-butyl-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-2-N-tert-butyl-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-2-N-tert-butyl-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is COc1ccc(NC(=O)N2CCC[C@H]2C(=O)NC(C)(C)C)cc1.
What is the InChIKey of (2S)-2-N-tert-butyl-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is YHPNHKYATZCZBQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-17(2,3)19-15(21)14-6-5-11-20(14)16(22)18-12-7-9-13(23-4)10-8-12/h7-10,14H,5-6,11H2,1-4H3,(H,18,22)(H,19,21)/t14-/m0/s1.
What are the key properties of (2S)-2-N-tert-butyl-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
(2S)-2-N-tert-butyl-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 319.40 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-tert-butyl-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 1468915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).