N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4,5-triethoxybenzamide

C23H30ClN3O5 — CID 90633694

IUPACN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NC2CCC(Oc3ncc(Cl)cn3)CC2)cc(OCC)c1OCC
InChIInChI=1S/C23H30ClN3O5/c1-4-29-19-11-15(12-20(30-5-2)21(19)31-6-3)22(28)27-17-7-9-18(10-8-17)32-23-25-13-16(24)14-26-23/h11-14,17-18H,4-10H2,1-3H3,(H,27,28)
InChIKeyYPJWYQJISLMBDC-UHFFFAOYSA-N
MW463.96 g/mol
LogP4.45
Rot. Bonds10

About N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4,5-triethoxybenzamide

N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4,5-triethoxybenzamide (PubChem CID 90633694) has the molecular formula C23H30ClN3O5 and a molecular weight of 463.96 g/mol. Its IUPAC name is N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4,5-triethoxybenzamide
PubChem CID90633694
Molecular FormulaC23H30ClN3O5
Molecular Weight463.96 g/mol
Exact Mass463.19
IUPAC NameN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NC2CCC(Oc3ncc(Cl)cn3)CC2)cc(OCC)c1OCC
InChIInChI=1S/C23H30ClN3O5/c1-4-29-19-11-15(12-20(30-5-2)21(19)31-6-3)22(28)27-17-7-9-18(10-8-17)32-23-25-13-16(24)14-26-23/h11-14,17-18H,4-10H2,1-3H3,(H,27,28)
InChIKeyYPJWYQJISLMBDC-UHFFFAOYSA-N
XLogP4.45
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.96
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90633673
3-bromo-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90633702
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide
CID 90633706
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethoxybenzamide
CID 90633687
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-morpholin-4-ylbenzamide
CID 90633915
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-(trifluoromethoxy)benzamide
CID 90633900
5-chloro-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]thiophene-2-carboxamide
CID 90633833
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4,5-dimethoxy-2-nitrobenzamide
CID 90633784
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-fluorobenzamide
CID 90633695
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]cyclohexanecarboxamide
CID 90633658
4-butoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634200
2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90633733

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4,5-triethoxybenzamide?
The IUPAC name of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4,5-triethoxybenzamide (CID 90633694) is N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4,5-triethoxybenzamide?
The canonical SMILES for N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)NC2CCC(Oc3ncc(Cl)cn3)CC2)cc(OCC)c1OCC.
What is the InChIKey of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4,5-triethoxybenzamide?
The InChIKey is YPJWYQJISLMBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O5/c1-4-29-19-11-15(12-20(30-5-2)21(19)31-6-3)22(28)27-17-7-9-18(10-8-17)32-23-25-13-16(24)14-26-23/h11-14,17-18H,4-10H2,1-3H3,(H,27,28).
What are the key properties of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4,5-triethoxybenzamide?
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4,5-triethoxybenzamide has a molecular weight of 463.96 g/mol, XLogP of 4.45, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4,5-triethoxybenzamide is sourced from PubChem (CID 90633694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).