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

C17H25N3O2 — CID 119533174

IUPAC1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
SMILESCCCN(C(=O)c1cccc(C(=O)N(C)C)c1)C1CCNC1
InChIInChI=1S/C17H25N3O2/c1-4-10-20(15-8-9-18-12-15)17(22)14-7-5-6-13(11-14)16(21)19(2)3/h5-7,11,15,18H,4,8-10,12H2,1-3H3
InChIKeyLJXJOQAGHSEJFZ-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.60
Rot. Bonds5

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

1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide (PubChem CID 119533174) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
PubChem CID119533174
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
SMILESCCCN(C(=O)c1cccc(C(=O)N(C)C)c1)C1CCNC1
InChIInChI=1S/C17H25N3O2/c1-4-10-20(15-8-9-18-12-15)17(22)14-7-5-6-13(11-14)16(21)19(2)3/h5-7,11,15,18H,4,8-10,12H2,1-3H3
InChIKeyLJXJOQAGHSEJFZ-UHFFFAOYSA-N
XLogP1.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-methyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533221
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
CID 61408528
3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530577
2-methyl-N-propyl-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 106753627
N-propyl-N-pyrrolidin-3-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 119529985
3-cyano-N-piperidin-4-yl-N-propylbenzamide
CID 60806422
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
3-piperidin-1-ylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532378
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532470
N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-5-carboxamide
CID 119531080
N-propyl-N-pyrrolidin-3-yl-3,5-bis(trifluoromethyl)benzamide
CID 119531195

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide (CID 119533174) is 1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide is CCCN(C(=O)c1cccc(C(=O)N(C)C)c1)C1CCNC1.
What is the InChIKey of 1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide?
The InChIKey is LJXJOQAGHSEJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-4-10-20(15-8-9-18-12-15)17(22)14-7-5-6-13(11-14)16(21)19(2)3/h5-7,11,15,18H,4,8-10,12H2,1-3H3.
What are the key properties of 1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide?
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 119533174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).