3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide

C16H23N3O2 — CID 109050681

IUPAC3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
SMILESCN(C)CCCNC(=O)c1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C16H23N3O2/c1-19(2)10-4-9-17-15(20)12-5-3-6-13(11-12)16(21)18-14-7-8-14/h3,5-6,11,14H,4,7-10H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyVVQLVVRGOPVVMD-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.26
Rot. Bonds7

About 3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide

3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide (PubChem CID 109050681) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
PubChem CID109050681
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
SMILESCN(C)CCCNC(=O)c1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C16H23N3O2/c1-19(2)10-4-9-17-15(20)12-5-3-6-13(11-12)16(21)18-14-7-8-14/h3,5-6,11,14H,4,7-10H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyVVQLVVRGOPVVMD-UHFFFAOYSA-N
XLogP1.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-N-cyclohexyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109052138
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
N-[3-(dimethylamino)propyl]-2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]benzamide
CID 42848136
3-N-[2-(dimethylamino)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109053176
1-N-[3-(dimethylamino)propyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109053413
1-N-[3-(dimethylamino)propyl]-3-N-(4-fluorophenyl)benzene-1,3-dicarboxamide
CID 109053436
1-N-[3-(dimethylamino)propyl]-3-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053381
6-N-cycloheptyl-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096549
1-N,3-N-bis[4-[[3-(2-aminoethylcarbamoyl)benzoyl]amino]cyclohexyl]-4,6-dimethoxybenzene-1,3-dicarboxamide
CID 130305111
3-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109052414
3-N-(1,3-benzodioxol-5-yl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109053473
1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050687

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide (CID 109050681) is 3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide is CN(C)CCCNC(=O)c1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of 3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide?
The InChIKey is VVQLVVRGOPVVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-19(2)10-4-9-17-15(20)12-5-3-6-13(11-12)16(21)18-14-7-8-14/h3,5-6,11,14H,4,7-10H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide?
3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109050681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).