1-N,3-N-dimethyl-1-N-phenyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide

C20H23N3O2 — CID 119552240

IUPAC1-N,3-N-dimethyl-1-N-phenyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
SMILESCN(C(=O)c1cccc(C(=O)N(C)C2CCNC2)c1)c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-22(17-9-4-3-5-10-17)19(24)15-7-6-8-16(13-15)20(25)23(2)18-11-12-21-14-18/h3-10,13,18,21H,11-12,14H2,1-2H3
InChIKeyYYTFOFPXPYWOFW-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.40
Rot. Bonds4

About 1-N,3-N-dimethyl-1-N-phenyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide

1-N,3-N-dimethyl-1-N-phenyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide (PubChem CID 119552240) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-N,3-N-dimethyl-1-N-phenyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-dimethyl-1-N-phenyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
PubChem CID119552240
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-N,3-N-dimethyl-1-N-phenyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
SMILESCN(C(=O)c1cccc(C(=O)N(C)C2CCNC2)c1)c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-22(17-9-4-3-5-10-17)19(24)15-7-6-8-16(13-15)20(25)23(2)18-11-12-21-14-18/h3-10,13,18,21H,11-12,14H2,1-2H3
InChIKeyYYTFOFPXPYWOFW-UHFFFAOYSA-N
XLogP2.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996
3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806673
N-methyl-N-pyrrolidin-3-ylquinoline-6-carboxamide
CID 55172573
N,3-dimethyl-N-piperidin-3-ylbenzamide
CID 60807215
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
N-methyl-5-phenyl-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 119552362
N-methyl-N-pyrrolidin-3-yl-3-(tetrazol-1-yl)benzamide
CID 119551937
N-methyl-5-phenyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119552361
3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 103806752
N,3,5-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551819
3,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 63298248
3-(dimethylamino)-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide
CID 82177202

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-dimethyl-1-N-phenyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-dimethyl-1-N-phenyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide (CID 119552240) is 1-N,3-N-dimethyl-1-N-phenyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-dimethyl-1-N-phenyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-dimethyl-1-N-phenyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide is CN(C(=O)c1cccc(C(=O)N(C)C2CCNC2)c1)c1ccccc1.
What is the InChIKey of 1-N,3-N-dimethyl-1-N-phenyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide?
The InChIKey is YYTFOFPXPYWOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-22(17-9-4-3-5-10-17)19(24)15-7-6-8-16(13-15)20(25)23(2)18-11-12-21-14-18/h3-10,13,18,21H,11-12,14H2,1-2H3.
What are the key properties of 1-N,3-N-dimethyl-1-N-phenyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide?
1-N,3-N-dimethyl-1-N-phenyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-dimethyl-1-N-phenyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 119552240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).