N-[(4-cyanophenyl)methyl]-4-cyclopentyloxy-N-propylbenzamide

C23H26N2O2 — CID 55609453

IUPACN-[(4-cyanophenyl)methyl]-4-cyclopentyloxy-N-propylbenzamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C23H26N2O2/c1-2-15-25(17-19-9-7-18(16-24)8-10-19)23(26)20-11-13-22(14-12-20)27-21-5-3-4-6-21/h7-14,21H,2-6,15,17H2,1H3
InChIKeyBQHRKMDZSCTBAY-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.93
Rot. Bonds7

About N-[(4-cyanophenyl)methyl]-4-cyclopentyloxy-N-propylbenzamide

N-[(4-cyanophenyl)methyl]-4-cyclopentyloxy-N-propylbenzamide (PubChem CID 55609453) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-4-cyclopentyloxy-N-propylbenzamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-4-cyclopentyloxy-N-propylbenzamide
PubChem CID55609453
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-[(4-cyanophenyl)methyl]-4-cyclopentyloxy-N-propylbenzamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C23H26N2O2/c1-2-15-25(17-19-9-7-18(16-24)8-10-19)23(26)20-11-13-22(14-12-20)27-21-5-3-4-6-21/h7-14,21H,2-6,15,17H2,1H3
InChIKeyBQHRKMDZSCTBAY-UHFFFAOYSA-N
XLogP4.93
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-bis[(4-cyclohexyloxyphenyl)methyl-propylcarbamoyl]cyclobutane-1,2-dicarboxylic acid
CID 19069362
methyl 2-[(4-cyanobenzoyl)-propylamino]acetate
CID 60766494
4-cyano-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655710
4-benzamido-N-[(4-cyanophenyl)methyl]-N-propylbenzamide
CID 55593914
methyl 6-[(4-cyanophenyl)methyl-propylcarbamoyl]pyridine-3-carboxylate
CID 134023429
N-[(4-cyanophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 60945973
4-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopent-2-ene-1-carboxamide
CID 79209292
3-(4-cyanophenoxy)-N-[2-[cyclobutyl(ethyl)amino]ethyl]-N-ethylcyclobutane-1-carboxamide
CID 143888797
N-[(4-cyanophenyl)methyl]-3-oxo-N-propylbutanamide
CID 54876667
N-[(4-cyanophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide
CID 103028790
N-[(4-cyanophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]-N-propylacetamide
CID 115949755
1-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide
CID 65466399

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-4-cyclopentyloxy-N-propylbenzamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-4-cyclopentyloxy-N-propylbenzamide (CID 55609453) is N-[(4-cyanophenyl)methyl]-4-cyclopentyloxy-N-propylbenzamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-4-cyclopentyloxy-N-propylbenzamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-4-cyclopentyloxy-N-propylbenzamide is CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(OC2CCCC2)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-4-cyclopentyloxy-N-propylbenzamide?
The InChIKey is BQHRKMDZSCTBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-2-15-25(17-19-9-7-18(16-24)8-10-19)23(26)20-11-13-22(14-12-20)27-21-5-3-4-6-21/h7-14,21H,2-6,15,17H2,1H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-4-cyclopentyloxy-N-propylbenzamide?
N-[(4-cyanophenyl)methyl]-4-cyclopentyloxy-N-propylbenzamide has a molecular weight of 362.47 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-4-cyclopentyloxy-N-propylbenzamide is sourced from PubChem (CID 55609453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).