1-[1-(6-methoxy-3-pyridinyl)ethyl]-3-[2-(oxolan-3-yl)-1-phenylethyl]urea

C21H27N3O3 — CID 146102321

IUPAC1-[1-(6-methoxy-3-pyridinyl)ethyl]-3-[2-(oxolan-3-yl)-1-phenylethyl]urea
SMILESCOc1ccc(C(C)NC(=O)NC(CC2CCOC2)c2ccccc2)cn1
InChIInChI=1S/C21H27N3O3/c1-15(18-8-9-20(26-2)22-13-18)23-21(25)24-19(12-16-10-11-27-14-16)17-6-4-3-5-7-17/h3-9,13,15-16,19H,10-12,14H2,1-2H3,(H2,23,24,25)
InChIKeyXTYNGOGGJKPQOE-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.62
Rot. Bonds7

About 1-[1-(6-methoxy-3-pyridinyl)ethyl]-3-[2-(oxolan-3-yl)-1-phenylethyl]urea

1-[1-(6-methoxy-3-pyridinyl)ethyl]-3-[2-(oxolan-3-yl)-1-phenylethyl]urea (PubChem CID 146102321) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[1-(6-methoxy-3-pyridinyl)ethyl]-3-[2-(oxolan-3-yl)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-[1-(6-methoxy-3-pyridinyl)ethyl]-3-[2-(oxolan-3-yl)-1-phenylethyl]urea
PubChem CID146102321
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name1-[1-(6-methoxy-3-pyridinyl)ethyl]-3-[2-(oxolan-3-yl)-1-phenylethyl]urea
SMILESCOc1ccc(C(C)NC(=O)NC(CC2CCOC2)c2ccccc2)cn1
InChIInChI=1S/C21H27N3O3/c1-15(18-8-9-20(26-2)22-13-18)23-21(25)24-19(12-16-10-11-27-14-16)17-6-4-3-5-7-17/h3-9,13,15-16,19H,10-12,14H2,1-2H3,(H2,23,24,25)
InChIKeyXTYNGOGGJKPQOE-UHFFFAOYSA-N
XLogP3.62
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(6-methoxy-3-pyridinyl)ethyl]-3-[2-(oxolan-3-yl)-1-phenylethyl]urea with MolForge

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Related Compounds

1-(6-methoxy-2-pyridinyl)-3-[2-(oxolan-3-yl)-1-phenylethyl]urea
CID 146107558
1-[2-(oxolan-3-yl)-1-phenylethyl]-3-pyridin-3-ylurea
CID 166181225
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(1R)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]urea
CID 97240996
4-methyl-N-[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide
CID 97241141
(2S,4S)-2-methyl-N-[2-(oxolan-3-yl)-1-phenylethyl]piperidine-4-carboxamide
CID 120640059
1-(6-methoxy-3-pyridinyl)-3-(1-phenylethyl)urea
CID 47139416
(1R)-2-[(3R)-oxolan-3-yl]-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine
CID 97241292
(2S)-2-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]-N-phenylpropanamide
CID 124624923
2-(1-hydroxycyclohexyl)-N-[2-(oxolan-3-yl)-1-phenylethyl]acetamide
CID 75388123
(3R)-1-methyl-5-oxo-N-[(1R)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]pyrrolidine-3-carboxamide
CID 97241109
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[1-(oxolan-3-yl)ethyl]urea
CID 75517864
1-(1-hydroxypropan-2-yl)-1-methyl-3-[2-(oxan-4-yl)-1-phenylethyl]urea
CID 110028474

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-methoxy-3-pyridinyl)ethyl]-3-[2-(oxolan-3-yl)-1-phenylethyl]urea?
The IUPAC name of 1-[1-(6-methoxy-3-pyridinyl)ethyl]-3-[2-(oxolan-3-yl)-1-phenylethyl]urea (CID 146102321) is 1-[1-(6-methoxy-3-pyridinyl)ethyl]-3-[2-(oxolan-3-yl)-1-phenylethyl]urea.
What is the SMILES notation for 1-[1-(6-methoxy-3-pyridinyl)ethyl]-3-[2-(oxolan-3-yl)-1-phenylethyl]urea?
The canonical SMILES for 1-[1-(6-methoxy-3-pyridinyl)ethyl]-3-[2-(oxolan-3-yl)-1-phenylethyl]urea is COc1ccc(C(C)NC(=O)NC(CC2CCOC2)c2ccccc2)cn1.
What is the InChIKey of 1-[1-(6-methoxy-3-pyridinyl)ethyl]-3-[2-(oxolan-3-yl)-1-phenylethyl]urea?
The InChIKey is XTYNGOGGJKPQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15(18-8-9-20(26-2)22-13-18)23-21(25)24-19(12-16-10-11-27-14-16)17-6-4-3-5-7-17/h3-9,13,15-16,19H,10-12,14H2,1-2H3,(H2,23,24,25).
What are the key properties of 1-[1-(6-methoxy-3-pyridinyl)ethyl]-3-[2-(oxolan-3-yl)-1-phenylethyl]urea?
1-[1-(6-methoxy-3-pyridinyl)ethyl]-3-[2-(oxolan-3-yl)-1-phenylethyl]urea has a molecular weight of 369.47 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-methoxy-3-pyridinyl)ethyl]-3-[2-(oxolan-3-yl)-1-phenylethyl]urea is sourced from PubChem (CID 146102321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).