2-N,2-N-dimethyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide

C15H21N3O2 — CID 53015936

IUPAC2-N,2-N-dimethyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1ccccc1NC(=O)N1CCCC1C(=O)N(C)C
InChIInChI=1S/C15H21N3O2/c1-11-7-4-5-8-12(11)16-15(20)18-10-6-9-13(18)14(19)17(2)3/h4-5,7-8,13H,6,9-10H2,1-3H3,(H,16,20)
InChIKeyTXZXOPIGBXRNKA-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.08
Rot. Bonds2

About 2-N,2-N-dimethyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide

2-N,2-N-dimethyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 53015936) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID53015936
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-N,2-N-dimethyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1ccccc1NC(=O)N1CCCC1C(=O)N(C)C
InChIInChI=1S/C15H21N3O2/c1-11-7-4-5-8-12(11)16-15(20)18-10-6-9-13(18)14(19)17(2)3/h4-5,7-8,13H,6,9-10H2,1-3H3,(H,16,20)
InChIKeyTXZXOPIGBXRNKA-UHFFFAOYSA-N
XLogP2.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-tert-butyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3230177
2-N-cyclopropyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 53015935
(2R)-2-N-cyclopropyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 95051482
(2S)-2-N,2-N-dimethyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 95051495
(2R)-2-N-benzyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1441944
2-methyl-N-(2-methylphenyl)piperidine-1-carboxamide
CID 6460442
1-(2-methylbenzoyl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 46744827
1-N-(3-acetylphenyl)-2-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 651368
2-[[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]amino]thiophene-3-carboxylic acid
CID 63113917
1-N-(3-methoxyphenyl)-2-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219782
(2R)-N-(2-methylphenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide
CID 92503119
N,N-dimethyl-1-[2-[2-(prop-2-enoylamino)phenyl]acetyl]pyrrolidine-2-carboxamide
CID 166420126

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N,2-N-dimethyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide (CID 53015936) is 2-N,2-N-dimethyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide is Cc1ccccc1NC(=O)N1CCCC1C(=O)N(C)C.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is TXZXOPIGBXRNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-7-4-5-8-12(11)16-15(20)18-10-6-9-13(18)14(19)17(2)3/h4-5,7-8,13H,6,9-10H2,1-3H3,(H,16,20).
What are the key properties of 2-N,2-N-dimethyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide?
2-N,2-N-dimethyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 275.35 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 53015936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).