1-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea

C20H25N3O2 — CID 124832309

IUPAC1-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
SMILESC[C@H](NC(=O)NC[C@H]1CCCO[C@H]1c1ccccc1)c1cccnc1
InChIInChI=1S/C20H25N3O2/c1-15(17-9-5-11-21-13-17)23-20(24)22-14-18-10-6-12-25-19(18)16-7-3-2-4-8-16/h2-5,7-9,11,13,15,18-19H,6,10,12,14H2,1H3,(H2,22,23,24)/t15-,18+,19-/m0/s1
InChIKeyFHOONPAMCJABFX-IPELMVKDSA-N
MW339.44 g/mol
LogP3.61
Rot. Bonds5

About 1-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea

1-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea (PubChem CID 124832309) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea.

Molecular Properties

Compound Name1-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
PubChem CID124832309
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
SMILESC[C@H](NC(=O)NC[C@H]1CCCO[C@H]1c1ccccc1)c1cccnc1
InChIInChI=1S/C20H25N3O2/c1-15(17-9-5-11-21-13-17)23-20(24)22-14-18-10-6-12-25-19(18)16-7-3-2-4-8-16/h2-5,7-9,11,13,15,18-19H,6,10,12,14H2,1H3,(H2,22,23,24)/t15-,18+,19-/m0/s1
InChIKeyFHOONPAMCJABFX-IPELMVKDSA-N
XLogP3.61
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea with MolForge

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Related Compounds

N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyridin-3-ylpropanamide
CID 129002179
1-[(2R)-3-methylbutan-2-yl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
CID 129331695
1-(5-methyl-2-pyridinyl)-3-[[(2S,3S)-2-phenyloxan-3-yl]methyl]urea
CID 129398613
1-[(1R)-2-hydroxy-1-phenylethyl]-3-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]urea
CID 124505433
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]urea
CID 124622593
1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 94163988
1-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(1-pyridin-3-ylethyl)urea
CID 56827109
1-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 95598516
1-[(1-phenylcyclopropyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 94163986
2-methyl-3-(1-pyridin-3-ylethylcarbamoylamino)propanoic acid
CID 62670638
1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea
CID 9115545
(1S)-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylethanamine
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Frequently Asked Questions

What is the IUPAC name of 1-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea?
The IUPAC name of 1-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea (CID 124832309) is 1-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea.
What is the SMILES notation for 1-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea?
The canonical SMILES for 1-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea is C[C@H](NC(=O)NC[C@H]1CCCO[C@H]1c1ccccc1)c1cccnc1.
What is the InChIKey of 1-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea?
The InChIKey is FHOONPAMCJABFX-IPELMVKDSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15(17-9-5-11-21-13-17)23-20(24)22-14-18-10-6-12-25-19(18)16-7-3-2-4-8-16/h2-5,7-9,11,13,15,18-19H,6,10,12,14H2,1H3,(H2,22,23,24)/t15-,18+,19-/m0/s1.
What are the key properties of 1-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea?
1-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea has a molecular weight of 339.44 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea is sourced from PubChem (CID 124832309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).