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

C18H22N2O2 — CID 94139207

IUPAC1-ethyl-3-naphthalen-1-yl-1-[[(3R)-oxolan-3-yl]methyl]urea
SMILESCCN(C[C@H]1CCOC1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H22N2O2/c1-2-20(12-14-10-11-22-13-14)18(21)19-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,14H,2,10-13H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyKBTAGTPFJLZZSY-CQSZACIVSA-N
MW298.39 g/mol
LogP3.73
Rot. Bonds4

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

1-ethyl-3-naphthalen-1-yl-1-[[(3R)-oxolan-3-yl]methyl]urea (PubChem CID 94139207) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-ethyl-3-naphthalen-1-yl-1-[[(3R)-oxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-naphthalen-1-yl-1-[[(3R)-oxolan-3-yl]methyl]urea
PubChem CID94139207
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-ethyl-3-naphthalen-1-yl-1-[[(3R)-oxolan-3-yl]methyl]urea
SMILESCCN(C[C@H]1CCOC1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H22N2O2/c1-2-20(12-14-10-11-22-13-14)18(21)19-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,14H,2,10-13H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyKBTAGTPFJLZZSY-CQSZACIVSA-N
XLogP3.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-(2-methoxy-3-pyridinyl)-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 94147343
1-ethyl-3-naphthalen-2-yl-1-(oxan-4-ylmethyl)urea
CID 74234927
N-ethyl-2-naphthalen-1-yl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 71878161
trans-(1R,2R)-N-ethyl-2-naphthalen-1-yl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide
CID 124744499
3-(2-methoxyphenyl)-1-(oxolan-3-ylmethyl)-1-propylurea
CID 91905721
N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-1-sulfonamide
CID 95974974
1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-naphthalen-1-ylurea
CID 79378172
1,1-bis(2-methylpropyl)-3-naphthalen-1-ylurea
CID 19835720
N-ethyl-2-(N-ethylanilino)-N-(oxolan-3-ylmethyl)acetamide
CID 51097037
3-(3-chloro-2-methylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875829
1-ethyl-3-[(4-methylsulfonylphenyl)methyl]-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 94118146
1-ethyl-3-naphthalen-1-yl-1-[2-(naphthalen-1-ylcarbamoylamino)ethyl]urea
CID 4067846

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-naphthalen-1-yl-1-[[(3R)-oxolan-3-yl]methyl]urea?
The IUPAC name of 1-ethyl-3-naphthalen-1-yl-1-[[(3R)-oxolan-3-yl]methyl]urea (CID 94139207) is 1-ethyl-3-naphthalen-1-yl-1-[[(3R)-oxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-ethyl-3-naphthalen-1-yl-1-[[(3R)-oxolan-3-yl]methyl]urea?
The canonical SMILES for 1-ethyl-3-naphthalen-1-yl-1-[[(3R)-oxolan-3-yl]methyl]urea is CCN(C[C@H]1CCOC1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-ethyl-3-naphthalen-1-yl-1-[[(3R)-oxolan-3-yl]methyl]urea?
The InChIKey is KBTAGTPFJLZZSY-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-2-20(12-14-10-11-22-13-14)18(21)19-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,14H,2,10-13H2,1H3,(H,19,21)/t14-/m1/s1.
What are the key properties of 1-ethyl-3-naphthalen-1-yl-1-[[(3R)-oxolan-3-yl]methyl]urea?
1-ethyl-3-naphthalen-1-yl-1-[[(3R)-oxolan-3-yl]methyl]urea has a molecular weight of 298.39 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-naphthalen-1-yl-1-[[(3R)-oxolan-3-yl]methyl]urea is sourced from PubChem (CID 94139207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).