1-(naphthalen-2-ylmethyl)-3-[[(3R)-oxolan-3-yl]methyl]urea

C17H20N2O2 — CID 95762758

IUPAC1-(naphthalen-2-ylmethyl)-3-[[(3R)-oxolan-3-yl]methyl]urea
SMILESO=C(NCc1ccc2ccccc2c1)NC[C@H]1CCOC1
InChIInChI=1S/C17H20N2O2/c20-17(19-11-14-7-8-21-12-14)18-10-13-5-6-15-3-1-2-4-16(15)9-13/h1-6,9,14H,7-8,10-12H2,(H2,18,19,20)/t14-/m1/s1
InChIKeyXIZBOCUFTXMKQY-CQSZACIVSA-N
MW284.36 g/mol
LogP2.68
Rot. Bonds4

About 1-(naphthalen-2-ylmethyl)-3-[[(3R)-oxolan-3-yl]methyl]urea

1-(naphthalen-2-ylmethyl)-3-[[(3R)-oxolan-3-yl]methyl]urea (PubChem CID 95762758) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(naphthalen-2-ylmethyl)-3-[[(3R)-oxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(naphthalen-2-ylmethyl)-3-[[(3R)-oxolan-3-yl]methyl]urea
PubChem CID95762758
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(naphthalen-2-ylmethyl)-3-[[(3R)-oxolan-3-yl]methyl]urea
SMILESO=C(NCc1ccc2ccccc2c1)NC[C@H]1CCOC1
InChIInChI=1S/C17H20N2O2/c20-17(19-11-14-7-8-21-12-14)18-10-13-5-6-15-3-1-2-4-16(15)9-13/h1-6,9,14H,7-8,10-12H2,(H2,18,19,20)/t14-/m1/s1
InChIKeyXIZBOCUFTXMKQY-CQSZACIVSA-N
XLogP2.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(naphthalen-2-ylmethyl)-1-(oxan-4-yl)methanamine
CID 62351212
1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(naphthalen-2-ylmethyl)urea
CID 99820423
1-[[(3S)-oxolan-3-yl]methyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
CID 94181232
4-formyl-5-(3-naphthalen-2-ylpropyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325773
1-[[(3R)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea
CID 94172517
5-[1-(naphthalen-2-ylmethoxy)propyl]-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 129201907
1-[(4-methoxyphenyl)methyl]-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea
CID 131703048
1-(2-cyclopropyloxan-4-yl)-3-(naphthalen-2-ylmethyl)urea
CID 86793796
1-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 98760898
1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 95323347
1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-(oxan-3-ylmethyl)urea
CID 132965666
1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 95622093

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-2-ylmethyl)-3-[[(3R)-oxolan-3-yl]methyl]urea?
The IUPAC name of 1-(naphthalen-2-ylmethyl)-3-[[(3R)-oxolan-3-yl]methyl]urea (CID 95762758) is 1-(naphthalen-2-ylmethyl)-3-[[(3R)-oxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-(naphthalen-2-ylmethyl)-3-[[(3R)-oxolan-3-yl]methyl]urea?
The canonical SMILES for 1-(naphthalen-2-ylmethyl)-3-[[(3R)-oxolan-3-yl]methyl]urea is O=C(NCc1ccc2ccccc2c1)NC[C@H]1CCOC1.
What is the InChIKey of 1-(naphthalen-2-ylmethyl)-3-[[(3R)-oxolan-3-yl]methyl]urea?
The InChIKey is XIZBOCUFTXMKQY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-17(19-11-14-7-8-21-12-14)18-10-13-5-6-15-3-1-2-4-16(15)9-13/h1-6,9,14H,7-8,10-12H2,(H2,18,19,20)/t14-/m1/s1.
What are the key properties of 1-(naphthalen-2-ylmethyl)-3-[[(3R)-oxolan-3-yl]methyl]urea?
1-(naphthalen-2-ylmethyl)-3-[[(3R)-oxolan-3-yl]methyl]urea has a molecular weight of 284.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-2-ylmethyl)-3-[[(3R)-oxolan-3-yl]methyl]urea is sourced from PubChem (CID 95762758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).