1-methyl-3-(1-naphthalen-1-ylethyl)-1-(oxan-2-ylmethyl)urea

C20H26N2O2 — CID 86826830

IUPAC1-methyl-3-(1-naphthalen-1-ylethyl)-1-(oxan-2-ylmethyl)urea
SMILESCC(NC(=O)N(C)CC1CCCCO1)c1cccc2ccccc12
InChIInChI=1S/C20H26N2O2/c1-15(18-12-7-9-16-8-3-4-11-19(16)18)21-20(23)22(2)14-17-10-5-6-13-24-17/h3-4,7-9,11-12,15,17H,5-6,10,13-14H2,1-2H3,(H,21,23)
InChIKeyUHSPLZNHNGSYRK-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.11
Rot. Bonds4

About 1-methyl-3-(1-naphthalen-1-ylethyl)-1-(oxan-2-ylmethyl)urea

1-methyl-3-(1-naphthalen-1-ylethyl)-1-(oxan-2-ylmethyl)urea (PubChem CID 86826830) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-methyl-3-(1-naphthalen-1-ylethyl)-1-(oxan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-3-(1-naphthalen-1-ylethyl)-1-(oxan-2-ylmethyl)urea
PubChem CID86826830
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-methyl-3-(1-naphthalen-1-ylethyl)-1-(oxan-2-ylmethyl)urea
SMILESCC(NC(=O)N(C)CC1CCCCO1)c1cccc2ccccc12
InChIInChI=1S/C20H26N2O2/c1-15(18-12-7-9-16-8-3-4-11-19(16)18)21-20(23)22(2)14-17-10-5-6-13-24-17/h3-4,7-9,11-12,15,17H,5-6,10,13-14H2,1-2H3,(H,21,23)
InChIKeyUHSPLZNHNGSYRK-UHFFFAOYSA-N
XLogP4.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea
CID 110749026
3-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-1-(oxolan-2-ylmethyl)urea
CID 122150742
3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61436490
N-[1-(2-chlorophenyl)ethyl]-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825178
1-methyl-1-[(1R)-1-naphthalen-1-ylethyl]-3-[(1S)-1-naphthalen-1-ylethyl]urea
CID 101424575
1-methyl-3-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95568822
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61433968
3-(3-acetylphenyl)-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61174521
N-methyl-N-(oxan-2-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 72938624
(2R)-3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 80756732
3-amino-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61436031
1-methyl-1-[[(2R)-oxolan-2-yl]methyl]-3-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]urea
CID 97061185

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-naphthalen-1-ylethyl)-1-(oxan-2-ylmethyl)urea?
The IUPAC name of 1-methyl-3-(1-naphthalen-1-ylethyl)-1-(oxan-2-ylmethyl)urea (CID 86826830) is 1-methyl-3-(1-naphthalen-1-ylethyl)-1-(oxan-2-ylmethyl)urea.
What is the SMILES notation for 1-methyl-3-(1-naphthalen-1-ylethyl)-1-(oxan-2-ylmethyl)urea?
The canonical SMILES for 1-methyl-3-(1-naphthalen-1-ylethyl)-1-(oxan-2-ylmethyl)urea is CC(NC(=O)N(C)CC1CCCCO1)c1cccc2ccccc12.
What is the InChIKey of 1-methyl-3-(1-naphthalen-1-ylethyl)-1-(oxan-2-ylmethyl)urea?
The InChIKey is UHSPLZNHNGSYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15(18-12-7-9-16-8-3-4-11-19(16)18)21-20(23)22(2)14-17-10-5-6-13-24-17/h3-4,7-9,11-12,15,17H,5-6,10,13-14H2,1-2H3,(H,21,23).
What are the key properties of 1-methyl-3-(1-naphthalen-1-ylethyl)-1-(oxan-2-ylmethyl)urea?
1-methyl-3-(1-naphthalen-1-ylethyl)-1-(oxan-2-ylmethyl)urea has a molecular weight of 326.44 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-naphthalen-1-ylethyl)-1-(oxan-2-ylmethyl)urea is sourced from PubChem (CID 86826830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).