1-[2-(oxan-2-ylmethoxy)phenyl]-3-(1-pyridin-4-ylethyl)urea

C20H25N3O3 — CID 60577378

IUPAC1-[2-(oxan-2-ylmethoxy)phenyl]-3-(1-pyridin-4-ylethyl)urea
SMILESCC(NC(=O)Nc1ccccc1OCC1CCCCO1)c1ccncc1
InChIInChI=1S/C20H25N3O3/c1-15(16-9-11-21-12-10-16)22-20(24)23-18-7-2-3-8-19(18)26-14-17-6-4-5-13-25-17/h2-3,7-12,15,17H,4-6,13-14H2,1H3,(H2,22,23,24)
InChIKeyAQELJCDLSXWICJ-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.91
Rot. Bonds6

About 1-[2-(oxan-2-ylmethoxy)phenyl]-3-(1-pyridin-4-ylethyl)urea

1-[2-(oxan-2-ylmethoxy)phenyl]-3-(1-pyridin-4-ylethyl)urea (PubChem CID 60577378) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[2-(oxan-2-ylmethoxy)phenyl]-3-(1-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[2-(oxan-2-ylmethoxy)phenyl]-3-(1-pyridin-4-ylethyl)urea
PubChem CID60577378
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-[2-(oxan-2-ylmethoxy)phenyl]-3-(1-pyridin-4-ylethyl)urea
SMILESCC(NC(=O)Nc1ccccc1OCC1CCCCO1)c1ccncc1
InChIInChI=1S/C20H25N3O3/c1-15(16-9-11-21-12-10-16)22-20(24)23-18-7-2-3-8-19(18)26-14-17-6-4-5-13-25-17/h2-3,7-12,15,17H,4-6,13-14H2,1H3,(H2,22,23,24)
InChIKeyAQELJCDLSXWICJ-UHFFFAOYSA-N
XLogP3.91
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methylhexan-2-yl)-3-[2-(oxan-2-ylmethoxy)phenyl]urea
CID 60577047
N-[4-[2-(oxan-2-ylmethoxy)anilino]-4-oxobutan-2-yl]benzamide
CID 86835563
2-amino-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide
CID 119302622
5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]-N-[(1R)-1-pyridin-4-ylethyl]aniline
CID 99781783
1-hexyl-3-[2-(oxan-2-ylmethoxy)phenyl]urea
CID 60577155
N-[2-(oxan-2-ylmethoxy)phenyl]but-2-ynamide
CID 167985248
1-ethyl-3-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-(pyridin-4-ylmethyl)urea
CID 97282057
3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride
CID 119302619
1-[2-(oxan-2-ylmethoxy)phenyl]-3-(2-thiophen-2-ylethyl)urea
CID 60572958
4-methyl-4-[[2-(oxan-2-ylmethoxy)phenyl]carbamoylamino]pentanoic acid
CID 122077814
3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54829445
4-(2-methylpropyl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide
CID 129368185

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-2-ylmethoxy)phenyl]-3-(1-pyridin-4-ylethyl)urea?
The IUPAC name of 1-[2-(oxan-2-ylmethoxy)phenyl]-3-(1-pyridin-4-ylethyl)urea (CID 60577378) is 1-[2-(oxan-2-ylmethoxy)phenyl]-3-(1-pyridin-4-ylethyl)urea.
What is the SMILES notation for 1-[2-(oxan-2-ylmethoxy)phenyl]-3-(1-pyridin-4-ylethyl)urea?
The canonical SMILES for 1-[2-(oxan-2-ylmethoxy)phenyl]-3-(1-pyridin-4-ylethyl)urea is CC(NC(=O)Nc1ccccc1OCC1CCCCO1)c1ccncc1.
What is the InChIKey of 1-[2-(oxan-2-ylmethoxy)phenyl]-3-(1-pyridin-4-ylethyl)urea?
The InChIKey is AQELJCDLSXWICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-15(16-9-11-21-12-10-16)22-20(24)23-18-7-2-3-8-19(18)26-14-17-6-4-5-13-25-17/h2-3,7-12,15,17H,4-6,13-14H2,1H3,(H2,22,23,24).
What are the key properties of 1-[2-(oxan-2-ylmethoxy)phenyl]-3-(1-pyridin-4-ylethyl)urea?
1-[2-(oxan-2-ylmethoxy)phenyl]-3-(1-pyridin-4-ylethyl)urea has a molecular weight of 355.44 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-2-ylmethoxy)phenyl]-3-(1-pyridin-4-ylethyl)urea is sourced from PubChem (CID 60577378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).