4-N-[4-(dimethylamino)phenyl]-1-N-pentylbenzene-1,4-dicarboxamide

C21H27N3O2 — CID 109048766

IUPAC4-N-[4-(dimethylamino)phenyl]-1-N-pentylbenzene-1,4-dicarboxamide
SMILESCCCCCNC(=O)c1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C21H27N3O2/c1-4-5-6-15-22-20(25)16-7-9-17(10-8-16)21(26)23-18-11-13-19(14-12-18)24(2)3/h7-14H,4-6,15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyLRCSOKRHBLLJRJ-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.92
Rot. Bonds8

About 4-N-[4-(dimethylamino)phenyl]-1-N-pentylbenzene-1,4-dicarboxamide

4-N-[4-(dimethylamino)phenyl]-1-N-pentylbenzene-1,4-dicarboxamide (PubChem CID 109048766) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-N-[4-(dimethylamino)phenyl]-1-N-pentylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[4-(dimethylamino)phenyl]-1-N-pentylbenzene-1,4-dicarboxamide
PubChem CID109048766
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-N-[4-(dimethylamino)phenyl]-1-N-pentylbenzene-1,4-dicarboxamide
SMILESCCCCCNC(=O)c1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C21H27N3O2/c1-4-5-6-15-22-20(25)16-7-9-17(10-8-16)21(26)23-18-11-13-19(14-12-18)24(2)3/h7-14H,4-6,15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyLRCSOKRHBLLJRJ-UHFFFAOYSA-N
XLogP3.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-N-pentylbenzamide
CID 21064504
4-(dimethylamino)-N-heptylbenzamide
CID 86046283
1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109043732
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
4-N-(4-bromophenyl)-1-N-butylbenzene-1,4-dicarboxamide
CID 109043765
N-hexyl-4-(propanoylamino)benzamide
CID 17257310
4-(butanoylamino)-N-hexylbenzamide
CID 3934901
4-(decanoylamino)-N-nonylbenzamide
CID 3464563
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
4-(chloromethyl)-N-[4-(dimethylamino)phenyl]benzamide
CID 43617033
2-[[4-(dimethylamino)phenyl]methyl-[[4-(dodecylcarbamoyl)phenyl]methyl]amino]-2-oxoacetic acid
CID 11318426
N-pentyl-4-(propylamino)benzamide
CID 62185567

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(dimethylamino)phenyl]-1-N-pentylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[4-(dimethylamino)phenyl]-1-N-pentylbenzene-1,4-dicarboxamide (CID 109048766) is 4-N-[4-(dimethylamino)phenyl]-1-N-pentylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[4-(dimethylamino)phenyl]-1-N-pentylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[4-(dimethylamino)phenyl]-1-N-pentylbenzene-1,4-dicarboxamide is CCCCCNC(=O)c1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-N-[4-(dimethylamino)phenyl]-1-N-pentylbenzene-1,4-dicarboxamide?
The InChIKey is LRCSOKRHBLLJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-4-5-6-15-22-20(25)16-7-9-17(10-8-16)21(26)23-18-11-13-19(14-12-18)24(2)3/h7-14H,4-6,15H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 4-N-[4-(dimethylamino)phenyl]-1-N-pentylbenzene-1,4-dicarboxamide?
4-N-[4-(dimethylamino)phenyl]-1-N-pentylbenzene-1,4-dicarboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(dimethylamino)phenyl]-1-N-pentylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109048766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).