1-(1-naphthalen-1-ylethyl)-3-[1-(oxan-4-yl)ethyl]urea

C20H26N2O2 — CID 136515157

IUPAC1-(1-naphthalen-1-ylethyl)-3-[1-(oxan-4-yl)ethyl]urea
SMILESCC(NC(=O)NC(C)C1CCOCC1)c1cccc2ccccc12
InChIInChI=1S/C20H26N2O2/c1-14(16-10-12-24-13-11-16)21-20(23)22-15(2)18-9-5-7-17-6-3-4-8-19(17)18/h3-9,14-16H,10-13H2,1-2H3,(H2,21,22,23)
InChIKeyJBWWQNJLEJCYSV-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.02
Rot. Bonds4

About 1-(1-naphthalen-1-ylethyl)-3-[1-(oxan-4-yl)ethyl]urea

1-(1-naphthalen-1-ylethyl)-3-[1-(oxan-4-yl)ethyl]urea (PubChem CID 136515157) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(1-naphthalen-1-ylethyl)-3-[1-(oxan-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(1-naphthalen-1-ylethyl)-3-[1-(oxan-4-yl)ethyl]urea
PubChem CID136515157
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-(1-naphthalen-1-ylethyl)-3-[1-(oxan-4-yl)ethyl]urea
SMILESCC(NC(=O)NC(C)C1CCOCC1)c1cccc2ccccc12
InChIInChI=1S/C20H26N2O2/c1-14(16-10-12-24-13-11-16)21-20(23)22-15(2)18-9-5-7-17-6-3-4-8-19(17)18/h3-9,14-16H,10-13H2,1-2H3,(H2,21,22,23)
InChIKeyJBWWQNJLEJCYSV-UHFFFAOYSA-N
XLogP4.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(1-naphthalen-1-ylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784151
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
4-(aminomethyl)-N-(1-naphthalen-1-ylethyl)oxane-4-carboxamide;hydrochloride
CID 120919076
(2R)-2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]-2-phenylacetic acid
CID 14671446
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
(2S)-3,3-dimethyl-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoylamino]butanoic acid
CID 69229055
2-(cyclopropylmethylamino)-N-(1-naphthalen-1-ylethyl)acetamide;hydrochloride
CID 119687005
4-amino-N-(1-naphthalen-1-ylethyl)oxolane-3-carboxamide
CID 66238289
trans-(2R,3R)-N-[(1S)-1-naphthalen-1-ylethyl]-2,3-diphenylcyclopropane-1-carboxamide
CID 11440730
3-hydroxy-N-[1-(oxan-4-yl)ethyl]benzamide
CID 113368337
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium
CID 8911226
(S)-naphthalen-1-yl(oxan-4-yl)methanamine;hydrochloride
CID 171243613

Frequently Asked Questions

What is the IUPAC name of 1-(1-naphthalen-1-ylethyl)-3-[1-(oxan-4-yl)ethyl]urea?
The IUPAC name of 1-(1-naphthalen-1-ylethyl)-3-[1-(oxan-4-yl)ethyl]urea (CID 136515157) is 1-(1-naphthalen-1-ylethyl)-3-[1-(oxan-4-yl)ethyl]urea.
What is the SMILES notation for 1-(1-naphthalen-1-ylethyl)-3-[1-(oxan-4-yl)ethyl]urea?
The canonical SMILES for 1-(1-naphthalen-1-ylethyl)-3-[1-(oxan-4-yl)ethyl]urea is CC(NC(=O)NC(C)C1CCOCC1)c1cccc2ccccc12.
What is the InChIKey of 1-(1-naphthalen-1-ylethyl)-3-[1-(oxan-4-yl)ethyl]urea?
The InChIKey is JBWWQNJLEJCYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14(16-10-12-24-13-11-16)21-20(23)22-15(2)18-9-5-7-17-6-3-4-8-19(17)18/h3-9,14-16H,10-13H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-(1-naphthalen-1-ylethyl)-3-[1-(oxan-4-yl)ethyl]urea?
1-(1-naphthalen-1-ylethyl)-3-[1-(oxan-4-yl)ethyl]urea has a molecular weight of 326.44 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-naphthalen-1-ylethyl)-3-[1-(oxan-4-yl)ethyl]urea is sourced from PubChem (CID 136515157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).