3-N-[2-(dimethylamino)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide

C17H27N3O2 — CID 109053176

IUPAC3-N-[2-(dimethylamino)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
SMILESCCCCCNC(=O)c1cccc(C(=O)NCCN(C)C)c1
InChIInChI=1S/C17H27N3O2/c1-4-5-6-10-18-16(21)14-8-7-9-15(13-14)17(22)19-11-12-20(2)3/h7-9,13H,4-6,10-12H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyCSYFGUCKAUOUIU-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.90
Rot. Bonds9

About 3-N-[2-(dimethylamino)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide

3-N-[2-(dimethylamino)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide (PubChem CID 109053176) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-N-[2-(dimethylamino)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(dimethylamino)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
PubChem CID109053176
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-N-[2-(dimethylamino)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
SMILESCCCCCNC(=O)c1cccc(C(=O)NCCN(C)C)c1
InChIInChI=1S/C17H27N3O2/c1-4-5-6-10-18-16(21)14-8-7-9-15(13-14)17(22)19-11-12-20(2)3/h7-9,13H,4-6,10-12H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyCSYFGUCKAUOUIU-UHFFFAOYSA-N
XLogP1.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.90
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

1-N,3-N-bis[2-[decyl(methyl)amino]ethyl]benzene-1,3-dicarboxamide
CID 139953389
N-[2-(dimethylamino)ethyl]-3-[[(N'-methyl-N-pentylcarbamimidoyl)amino]methyl]benzamide
CID 111128769
1-N,3-N-bis[2-(dibutylamino)ethyl]benzene-1,3-dicarboxamide
CID 139956379
1-N,3-N-bis[2-[ethyl(octyl)amino]ethyl]benzene-1,3-dicarboxamide
CID 139952425
1-N,3-N-bis[2-[ethyl(hexadecyl)amino]ethyl]benzene-1,3-dicarboxamide
CID 139952505
3-hydroxy-N-octylbenzamide
CID 115568584
3-bromo-N-dodecylbenzamide
CID 603918
3-carbamothioyl-N-octylbenzamide
CID 115568179
3-fluoro-N-octadecylbenzamide
CID 91711883
N-decyl-3-sulfanylbenzamide
CID 107032454
N-[2-(dimethylamino)ethyl]-4-(octylamino)benzamide
CID 53361066
ethyl 3-(tetradecylcarbamoyl)benzoate
CID 163748479

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(dimethylamino)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-(dimethylamino)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide (CID 109053176) is 3-N-[2-(dimethylamino)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-(dimethylamino)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-(dimethylamino)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide is CCCCCNC(=O)c1cccc(C(=O)NCCN(C)C)c1.
What is the InChIKey of 3-N-[2-(dimethylamino)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide?
The InChIKey is CSYFGUCKAUOUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-4-5-6-10-18-16(21)14-8-7-9-15(13-14)17(22)19-11-12-20(2)3/h7-9,13H,4-6,10-12H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of 3-N-[2-(dimethylamino)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide?
3-N-[2-(dimethylamino)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide has a molecular weight of 305.42 g/mol, XLogP of 1.90, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(dimethylamino)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109053176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).