N-(3-cyanophenyl)-4-pentoxybenzamide

C19H20N2O2 — CID 4935007

IUPACN-(3-cyanophenyl)-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C19H20N2O2/c1-2-3-4-12-23-18-10-8-16(9-11-18)19(22)21-17-7-5-6-15(13-17)14-20/h5-11,13H,2-4,12H2,1H3,(H,21,22)
InChIKeyGDHSDMCMVITIHQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.38
Rot. Bonds7

About N-(3-cyanophenyl)-4-pentoxybenzamide

N-(3-cyanophenyl)-4-pentoxybenzamide (PubChem CID 4935007) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-pentoxybenzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-pentoxybenzamide
PubChem CID4935007
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-(3-cyanophenyl)-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C19H20N2O2/c1-2-3-4-12-23-18-10-8-16(9-11-18)19(22)21-17-7-5-6-15(13-17)14-20/h5-11,13H,2-4,12H2,1H3,(H,21,22)
InChIKeyGDHSDMCMVITIHQ-UHFFFAOYSA-N
XLogP4.38
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.38
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-(3-cyanophenyl)-4-ethoxybenzamide
CID 2707612
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
N-(4-cyanophenyl)-4-decoxybenzamide
CID 101059552
N-(3-chlorophenyl)-4-pentoxybenzamide
CID 4934948
3-[(4-hexoxybenzoyl)amino]benzoic acid
CID 45425945
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
4-hexoxy-N-(3-methoxyphenyl)benzamide
CID 4933605
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
3-cyano-N-(4-propoxyphenyl)benzamide
CID 62328524
4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide
CID 26161284
N-(3-cyanophenyl)-4-ethylbenzamide
CID 2552285
N-(4-cyano-7-oxocyclohepta-1,3,5-trien-1-yl)-4-tetradecoxybenzamide
CID 101164201

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-pentoxybenzamide?
The IUPAC name of N-(3-cyanophenyl)-4-pentoxybenzamide (CID 4935007) is N-(3-cyanophenyl)-4-pentoxybenzamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-pentoxybenzamide?
The canonical SMILES for N-(3-cyanophenyl)-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)Nc2cccc(C#N)c2)cc1.
What is the InChIKey of N-(3-cyanophenyl)-4-pentoxybenzamide?
The InChIKey is GDHSDMCMVITIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-3-4-12-23-18-10-8-16(9-11-18)19(22)21-17-7-5-6-15(13-17)14-20/h5-11,13H,2-4,12H2,1H3,(H,21,22).
What are the key properties of N-(3-cyanophenyl)-4-pentoxybenzamide?
N-(3-cyanophenyl)-4-pentoxybenzamide has a molecular weight of 308.38 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-pentoxybenzamide is sourced from PubChem (CID 4935007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).