3-[[(2R)-oxolan-2-yl]methoxy]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide

C18H22N4O3 — CID 94023247

IUPAC3-[[(2R)-oxolan-2-yl]methoxy]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
SMILESO=C(NCCNc1ncccn1)c1cccc(OC[C@H]2CCCO2)c1
InChIInChI=1S/C18H22N4O3/c23-17(19-9-10-22-18-20-7-3-8-21-18)14-4-1-5-15(12-14)25-13-16-6-2-11-24-16/h1,3-5,7-8,12,16H,2,6,9-11,13H2,(H,19,23)(H,20,21,22)/t16-/m1/s1
InChIKeyXDYRRVKPXVCGOG-MRXNPFEDSA-N
MW342.40 g/mol
LogP1.88
Rot. Bonds8

About 3-[[(2R)-oxolan-2-yl]methoxy]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide

3-[[(2R)-oxolan-2-yl]methoxy]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide (PubChem CID 94023247) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-[[(2R)-oxolan-2-yl]methoxy]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-[[(2R)-oxolan-2-yl]methoxy]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
PubChem CID94023247
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name3-[[(2R)-oxolan-2-yl]methoxy]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
SMILESO=C(NCCNc1ncccn1)c1cccc(OC[C@H]2CCCO2)c1
InChIInChI=1S/C18H22N4O3/c23-17(19-9-10-22-18-20-7-3-8-21-18)14-4-1-5-15(12-14)25-13-16-6-2-11-24-16/h1,3-5,7-8,12,16H,2,6,9-11,13H2,(H,19,23)(H,20,21,22)/t16-/m1/s1
InChIKeyXDYRRVKPXVCGOG-MRXNPFEDSA-N
XLogP1.88
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134057513
N-[2-(cycloheptylamino)ethyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 119619503
N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134023713
3-(oxolan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 43044153
N-(3-hydroxy-2-pyridinyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 42939966
N-(3-hydroxy-2-pyridinyl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 30469054
N-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 120827818
2-methyl-3-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119237324
N-(4-aminocyclohexyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119475074
N-[3-(2,4-dimethylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 43044181
N-(2-amino-2-ethylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119640288
N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 95781316

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-oxolan-2-yl]methoxy]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide?
The IUPAC name of 3-[[(2R)-oxolan-2-yl]methoxy]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide (CID 94023247) is 3-[[(2R)-oxolan-2-yl]methoxy]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 3-[[(2R)-oxolan-2-yl]methoxy]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide?
The canonical SMILES for 3-[[(2R)-oxolan-2-yl]methoxy]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide is O=C(NCCNc1ncccn1)c1cccc(OC[C@H]2CCCO2)c1.
What is the InChIKey of 3-[[(2R)-oxolan-2-yl]methoxy]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide?
The InChIKey is XDYRRVKPXVCGOG-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-17(19-9-10-22-18-20-7-3-8-21-18)14-4-1-5-15(12-14)25-13-16-6-2-11-24-16/h1,3-5,7-8,12,16H,2,6,9-11,13H2,(H,19,23)(H,20,21,22)/t16-/m1/s1.
What are the key properties of 3-[[(2R)-oxolan-2-yl]methoxy]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide?
3-[[(2R)-oxolan-2-yl]methoxy]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide has a molecular weight of 342.40 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-oxolan-2-yl]methoxy]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 94023247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).