N-(3-cyclopentylpropyl)-N-(furan-2-ylmethyl)-4-methylbenzamide

C21H27NO2 — CID 770764

IUPACN-(3-cyclopentylpropyl)-N-(furan-2-ylmethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CCCC2CCCC2)Cc2ccco2)cc1
InChIInChI=1S/C21H27NO2/c1-17-10-12-19(13-11-17)21(23)22(16-20-9-5-15-24-20)14-4-8-18-6-2-3-7-18/h5,9-13,15,18H,2-4,6-8,14,16H2,1H3
InChIKeyUDSQXMYEEQTZAL-UHFFFAOYSA-N
MW325.45 g/mol
LogP5.20
Rot. Bonds7

About N-(3-cyclopentylpropyl)-N-(furan-2-ylmethyl)-4-methylbenzamide

N-(3-cyclopentylpropyl)-N-(furan-2-ylmethyl)-4-methylbenzamide (PubChem CID 770764) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-N-(furan-2-ylmethyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-N-(furan-2-ylmethyl)-4-methylbenzamide
PubChem CID770764
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-(3-cyclopentylpropyl)-N-(furan-2-ylmethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CCCC2CCCC2)Cc2ccco2)cc1
InChIInChI=1S/C21H27NO2/c1-17-10-12-19(13-11-17)21(23)22(16-20-9-5-15-24-20)14-4-8-18-6-2-3-7-18/h5,9-13,15,18H,2-4,6-8,14,16H2,1H3
InChIKeyUDSQXMYEEQTZAL-UHFFFAOYSA-N
XLogP5.20
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(furan-2-ylmethyl)-4-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 42803260
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 3596156
N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 5146816
N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-4-methylbenzamide
CID 1058827
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)ethanone
CID 62030869
N-(furan-2-ylmethyl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 121084627
N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 83277431
4-tert-butyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60519774
3-cyclopentyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)propanamide
CID 5174064
N-benzyl-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 4518197
N-cyclopentyl-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 60737869
N-butyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 46987628

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-N-(furan-2-ylmethyl)-4-methylbenzamide?
The IUPAC name of N-(3-cyclopentylpropyl)-N-(furan-2-ylmethyl)-4-methylbenzamide (CID 770764) is N-(3-cyclopentylpropyl)-N-(furan-2-ylmethyl)-4-methylbenzamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-N-(furan-2-ylmethyl)-4-methylbenzamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-N-(furan-2-ylmethyl)-4-methylbenzamide is Cc1ccc(C(=O)N(CCCC2CCCC2)Cc2ccco2)cc1.
What is the InChIKey of N-(3-cyclopentylpropyl)-N-(furan-2-ylmethyl)-4-methylbenzamide?
The InChIKey is UDSQXMYEEQTZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-17-10-12-19(13-11-17)21(23)22(16-20-9-5-15-24-20)14-4-8-18-6-2-3-7-18/h5,9-13,15,18H,2-4,6-8,14,16H2,1H3.
What are the key properties of N-(3-cyclopentylpropyl)-N-(furan-2-ylmethyl)-4-methylbenzamide?
N-(3-cyclopentylpropyl)-N-(furan-2-ylmethyl)-4-methylbenzamide has a molecular weight of 325.45 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-N-(furan-2-ylmethyl)-4-methylbenzamide is sourced from PubChem (CID 770764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).