N-cyclopentyl-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide

C18H21N3O4 — CID 20850303

IUPACN-cyclopentyl-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide
SMILESCOc1cc(OC)nc(Oc2ccccc2C(=O)NC2CCCC2)n1
InChIInChI=1S/C18H21N3O4/c1-23-15-11-16(24-2)21-18(20-15)25-14-10-6-5-9-13(14)17(22)19-12-7-3-4-8-12/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,19,22)
InChIKeyJCNASRKZVXRAAC-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.96
Rot. Bonds6

About N-cyclopentyl-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide

N-cyclopentyl-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide (PubChem CID 20850303) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-cyclopentyl-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide
PubChem CID20850303
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-cyclopentyl-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide
SMILESCOc1cc(OC)nc(Oc2ccccc2C(=O)NC2CCCC2)n1
InChIInChI=1S/C18H21N3O4/c1-23-15-11-16(24-2)21-18(20-15)25-14-10-6-5-9-13(14)17(22)19-12-7-3-4-8-12/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,19,22)
InChIKeyJCNASRKZVXRAAC-UHFFFAOYSA-N
XLogP2.96
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzamide
CID 20788830
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
methyl (2R)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]propanoate
CID 20788772
methyl (2S)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]azetidine-2-carboxylate
CID 20788766
2-methoxy-N-[4-(propylamino)cyclohexyl]benzamide
CID 43653454
2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 3475258
N'-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzohydrazide
CID 4152975
N-(4-bromocyclohexyl)-2-methoxybenzamide
CID 113274302
2-methoxy-N-piperidin-4-ylbenzamide
CID 16780894
2-methoxy-N-[4-[[4-[(2-methoxybenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
CID 5173361
methyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]pent-4-enoate
CID 20788800
2-(4,6-dimethoxypyrimidin-2-yl)oxy-N'-(4-nitrophenyl)benzohydrazide
CID 4152971

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide?
The IUPAC name of N-cyclopentyl-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide (CID 20850303) is N-cyclopentyl-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide.
What is the SMILES notation for N-cyclopentyl-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide?
The canonical SMILES for N-cyclopentyl-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide is COc1cc(OC)nc(Oc2ccccc2C(=O)NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide?
The InChIKey is JCNASRKZVXRAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-23-15-11-16(24-2)21-18(20-15)25-14-10-6-5-9-13(14)17(22)19-12-7-3-4-8-12/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,19,22).
What are the key properties of N-cyclopentyl-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide?
N-cyclopentyl-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide has a molecular weight of 343.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide is sourced from PubChem (CID 20850303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).