N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,4-dimethylbenzamide

C20H25N3O2 — CID 71795178

IUPACN-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCn2cnc(C3CCCC3)cc2=O)cc1C
InChIInChI=1S/C20H25N3O2/c1-14-7-8-17(11-15(14)2)20(25)21-9-10-23-13-22-18(12-19(23)24)16-5-3-4-6-16/h7-8,11-13,16H,3-6,9-10H2,1-2H3,(H,21,25)
InChIKeyWAXBXUMTSQNDQO-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.95
Rot. Bonds5

About N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,4-dimethylbenzamide

N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,4-dimethylbenzamide (PubChem CID 71795178) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,4-dimethylbenzamide
PubChem CID71795178
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCn2cnc(C3CCCC3)cc2=O)cc1C
InChIInChI=1S/C20H25N3O2/c1-14-7-8-17(11-15(14)2)20(25)21-9-10-23-13-22-18(12-19(23)24)16-5-3-4-6-16/h7-8,11-13,16H,3-6,9-10H2,1-2H3,(H,21,25)
InChIKeyWAXBXUMTSQNDQO-UHFFFAOYSA-N
XLogP2.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 121120366
3,4-dichloro-N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121119964
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,5-dinitrobenzamide
CID 121120469
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 121120374
1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methylphenyl)urea
CID 121120589
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dimethoxybenzamide
CID 121120244
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-3,4-dimethylbenzamide
CID 90516097
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 119099491
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121120412
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 121120373
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide
CID 121120319
1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)urea
CID 121120574

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,4-dimethylbenzamide (CID 71795178) is N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCCn2cnc(C3CCCC3)cc2=O)cc1C.
What is the InChIKey of N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,4-dimethylbenzamide?
The InChIKey is WAXBXUMTSQNDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-7-8-17(11-15(14)2)20(25)21-9-10-23-13-22-18(12-19(23)24)16-5-3-4-6-16/h7-8,11-13,16H,3-6,9-10H2,1-2H3,(H,21,25).
What are the key properties of N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,4-dimethylbenzamide?
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,4-dimethylbenzamide has a molecular weight of 339.44 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 71795178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).