4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide

C19H29N3O2 — CID 109045756

IUPAC4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
SMILESCN(C)CCNC(=O)c1ccc(C(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C19H29N3O2/c1-22(2)14-13-20-18(23)15-9-11-16(12-10-15)19(24)21-17-7-5-3-4-6-8-17/h9-12,17H,3-8,13-14H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyNKGOSMAPTIQZIB-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.43
Rot. Bonds6

About 4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide

4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide (PubChem CID 109045756) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
PubChem CID109045756
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
SMILESCN(C)CCNC(=O)c1ccc(C(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C19H29N3O2/c1-22(2)14-13-20-18(23)15-9-11-16(12-10-15)19(24)21-17-7-5-3-4-6-8-17/h9-12,17H,3-8,13-14H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyNKGOSMAPTIQZIB-UHFFFAOYSA-N
XLogP2.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-cyclopentyl-1-N-propylbenzene-1,4-dicarboxamide
CID 109042876
3-N-cyclohexyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109052138
4-N-cycloheptyl-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043526
N-cyclooctyl-4-methylbenzamide
CID 3995245
N-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide
CID 107019569
N-cyclopentyl-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide
CID 109249531
4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide
CID 109044769
N-cycloheptyl-4-(methylamino)benzamide
CID 62165627
3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109050681
6-N-cycloheptyl-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096549
N-cyclopentyl-4-[[(2S)-4-(dimethylamino)butan-2-yl]carbamoylamino]benzamide
CID 95591181
3-amino-N-cyclohexyl-4-[2-(dimethylamino)ethoxy]benzamide
CID 82070507

Frequently Asked Questions

What is the IUPAC name of 4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide (CID 109045756) is 4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide is CN(C)CCNC(=O)c1ccc(C(=O)NC2CCCCCC2)cc1.
What is the InChIKey of 4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide?
The InChIKey is NKGOSMAPTIQZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-22(2)14-13-20-18(23)15-9-11-16(12-10-15)19(24)21-17-7-5-3-4-6-8-17/h9-12,17H,3-8,13-14H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide?
4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 109045756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).