1-ethyl-3-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-(pyridin-4-ylmethyl)urea

C20H25N3O3 — CID 97282057

IUPAC1-ethyl-3-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-(pyridin-4-ylmethyl)urea
SMILESCCN(Cc1ccncc1)C(=O)Nc1ccccc1OC[C@H]1CCCO1
InChIInChI=1S/C20H25N3O3/c1-2-23(14-16-9-11-21-12-10-16)20(24)22-18-7-3-4-8-19(18)26-15-17-6-5-13-25-17/h3-4,7-12,17H,2,5-6,13-15H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyYBUHVKHCIWGOAT-QGZVFWFLSA-N
MW355.44 g/mol
LogP3.69
Rot. Bonds7

About 1-ethyl-3-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-(pyridin-4-ylmethyl)urea

1-ethyl-3-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-(pyridin-4-ylmethyl)urea (PubChem CID 97282057) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-ethyl-3-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-ethyl-3-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-(pyridin-4-ylmethyl)urea
PubChem CID97282057
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-ethyl-3-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-(pyridin-4-ylmethyl)urea
SMILESCCN(Cc1ccncc1)C(=O)Nc1ccccc1OC[C@H]1CCCO1
InChIInChI=1S/C20H25N3O3/c1-2-23(14-16-9-11-21-12-10-16)20(24)22-18-7-3-4-8-19(18)26-15-17-6-5-13-25-17/h3-4,7-12,17H,2,5-6,13-15H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyYBUHVKHCIWGOAT-QGZVFWFLSA-N
XLogP3.69
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-3-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-(pyridin-4-ylmethyl)urea with MolForge

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Related Compounds

3-(2-methoxy-3-pyridinyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-4-ylmethyl)urea
CID 47849575
2-(diethylamino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54813459
1-[2-(oxan-2-ylmethoxy)phenyl]-3-(1-pyridin-4-ylethyl)urea
CID 60577378
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
3-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide
CID 43911417
4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
1-[[4-(dimethylamino)phenyl]methyl]-3-(2-methoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 41430702
2-[cyclohexyl(methyl)amino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817408
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282
4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N,N-dipropylbenzamide
CID 54831866
3-ethyl-5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide
CID 131919040

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-ethyl-3-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-(pyridin-4-ylmethyl)urea (CID 97282057) is 1-ethyl-3-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-ethyl-3-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-ethyl-3-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-(pyridin-4-ylmethyl)urea is CCN(Cc1ccncc1)C(=O)Nc1ccccc1OC[C@H]1CCCO1.
What is the InChIKey of 1-ethyl-3-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-(pyridin-4-ylmethyl)urea?
The InChIKey is YBUHVKHCIWGOAT-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-2-23(14-16-9-11-21-12-10-16)20(24)22-18-7-3-4-8-19(18)26-15-17-6-5-13-25-17/h3-4,7-12,17H,2,5-6,13-15H2,1H3,(H,22,24)/t17-/m1/s1.
What are the key properties of 1-ethyl-3-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-(pyridin-4-ylmethyl)urea?
1-ethyl-3-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-(pyridin-4-ylmethyl)urea has a molecular weight of 355.44 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 97282057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).