1-N,4-N-bis(5-cyanopentyl)benzene-1,4-dicarboxamide

C20H26N4O2 — CID 11783188

IUPAC1-N,4-N-bis(5-cyanopentyl)benzene-1,4-dicarboxamide
SMILESN#CCCCCCNC(=O)c1ccc(C(=O)NCCCCCC#N)cc1
InChIInChI=1S/C20H26N4O2/c21-13-5-1-3-7-15-23-19(25)17-9-11-18(12-10-17)20(26)24-16-8-4-2-6-14-22/h9-12H,1-8,15-16H2,(H,23,25)(H,24,26)
InChIKeyRSWYOAUXEUZUOP-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.31
Rot. Bonds12

About 1-N,4-N-bis(5-cyanopentyl)benzene-1,4-dicarboxamide

1-N,4-N-bis(5-cyanopentyl)benzene-1,4-dicarboxamide (PubChem CID 11783188) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-N,4-N-bis(5-cyanopentyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(5-cyanopentyl)benzene-1,4-dicarboxamide
PubChem CID11783188
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-N,4-N-bis(5-cyanopentyl)benzene-1,4-dicarboxamide
SMILESN#CCCCCCNC(=O)c1ccc(C(=O)NCCCCCC#N)cc1
InChIInChI=1S/C20H26N4O2/c21-13-5-1-3-7-15-23-19(25)17-9-11-18(12-10-17)20(26)24-16-8-4-2-6-14-22/h9-12H,1-8,15-16H2,(H,23,25)(H,24,26)
InChIKeyRSWYOAUXEUZUOP-UHFFFAOYSA-N
XLogP3.31
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyanopropyl)benzamide
CID 62666234
N-(4-cyanobutyl)-4-(difluoromethoxy)benzamide
CID 63284398
N-(4-cyanobutyl)-3,4-difluorobenzamide
CID 63284826
4-(aminomethyl)-N-(3-cyanopropyl)benzamide
CID 62667032
4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide
CID 137466862
4-chloro-N-(4-cyanobutyl)-3-fluorobenzamide
CID 113343444
3-cyano-N-(4-cyanobutyl)benzamide
CID 63284789
4-cyano-N-decylbenzamide
CID 14179073
4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
N-(4-cyanobutyl)-4-hydroxy-2-methylbenzamide
CID 103865446
N-(4-cyanobutyl)-2,3,4-trifluorobenzamide
CID 79749440
4-(cyanomethyl)-N-pentylbenzamide
CID 82178782

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(5-cyanopentyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(5-cyanopentyl)benzene-1,4-dicarboxamide (CID 11783188) is 1-N,4-N-bis(5-cyanopentyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(5-cyanopentyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(5-cyanopentyl)benzene-1,4-dicarboxamide is N#CCCCCCNC(=O)c1ccc(C(=O)NCCCCCC#N)cc1.
What is the InChIKey of 1-N,4-N-bis(5-cyanopentyl)benzene-1,4-dicarboxamide?
The InChIKey is RSWYOAUXEUZUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c21-13-5-1-3-7-15-23-19(25)17-9-11-18(12-10-17)20(26)24-16-8-4-2-6-14-22/h9-12H,1-8,15-16H2,(H,23,25)(H,24,26).
What are the key properties of 1-N,4-N-bis(5-cyanopentyl)benzene-1,4-dicarboxamide?
1-N,4-N-bis(5-cyanopentyl)benzene-1,4-dicarboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.31, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(5-cyanopentyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 11783188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).