N-(4-cyanophenyl)-4-decoxybenzamide

C24H30N2O2 — CID 101059552

IUPACN-(4-cyanophenyl)-4-decoxybenzamide
SMILESCCCCCCCCCCOc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C24H30N2O2/c1-2-3-4-5-6-7-8-9-18-28-23-16-12-21(13-17-23)24(27)26-22-14-10-20(19-25)11-15-22/h10-17H,2-9,18H2,1H3,(H,26,27)
InChIKeyNSDTWUZJWCVJDB-UHFFFAOYSA-N
MW378.52 g/mol
LogP6.33
Rot. Bonds12

About N-(4-cyanophenyl)-4-decoxybenzamide

N-(4-cyanophenyl)-4-decoxybenzamide (PubChem CID 101059552) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-decoxybenzamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-decoxybenzamide
PubChem CID101059552
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-(4-cyanophenyl)-4-decoxybenzamide
SMILESCCCCCCCCCCOc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C24H30N2O2/c1-2-3-4-5-6-7-8-9-18-28-23-16-12-21(13-17-23)24(27)26-22-14-10-20(19-25)11-15-22/h10-17H,2-9,18H2,1H3,(H,26,27)
InChIKeyNSDTWUZJWCVJDB-UHFFFAOYSA-N
XLogP6.33
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-cyanophenyl)carbamothioyl]-4-hexoxybenzamide
CID 4933897
N-(4-cyano-7-oxocyclohepta-1,3,5-trien-1-yl)-4-tetradecoxybenzamide
CID 101164201
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
N-(3-cyanophenyl)-4-pentoxybenzamide
CID 4935007
4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
CID 9164625
4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17218814
pentyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170775
N-(4-iodophenyl)-4-pentoxybenzamide
CID 4935000
N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 4951578
N-(4-heptoxyphenyl)-4-(4-methoxyphenyl)benzamide
CID 101044220
4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 17340246
4-butyl-N-[4-(4-cyanophenoxy)phenyl]benzamide
CID 44723465

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-decoxybenzamide?
The IUPAC name of N-(4-cyanophenyl)-4-decoxybenzamide (CID 101059552) is N-(4-cyanophenyl)-4-decoxybenzamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-decoxybenzamide?
The canonical SMILES for N-(4-cyanophenyl)-4-decoxybenzamide is CCCCCCCCCCOc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-4-decoxybenzamide?
The InChIKey is NSDTWUZJWCVJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-2-3-4-5-6-7-8-9-18-28-23-16-12-21(13-17-23)24(27)26-22-14-10-20(19-25)11-15-22/h10-17H,2-9,18H2,1H3,(H,26,27).
What are the key properties of N-(4-cyanophenyl)-4-decoxybenzamide?
N-(4-cyanophenyl)-4-decoxybenzamide has a molecular weight of 378.52 g/mol, XLogP of 6.33, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-decoxybenzamide is sourced from PubChem (CID 101059552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).