1-[2-(methoxymethyl)cyclopentyl]-3-naphthalen-1-ylurea

C18H22N2O2 — CID 156609749

IUPAC1-[2-(methoxymethyl)cyclopentyl]-3-naphthalen-1-ylurea
SMILESCOCC1CCCC1NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H22N2O2/c1-22-12-14-8-5-10-16(14)19-18(21)20-17-11-4-7-13-6-2-3-9-15(13)17/h2-4,6-7,9,11,14,16H,5,8,10,12H2,1H3,(H2,19,20,21)
InChIKeyUVNMRISDUONBPG-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.78
Rot. Bonds4

About 1-[2-(methoxymethyl)cyclopentyl]-3-naphthalen-1-ylurea

1-[2-(methoxymethyl)cyclopentyl]-3-naphthalen-1-ylurea (PubChem CID 156609749) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)cyclopentyl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[2-(methoxymethyl)cyclopentyl]-3-naphthalen-1-ylurea
PubChem CID156609749
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-[2-(methoxymethyl)cyclopentyl]-3-naphthalen-1-ylurea
SMILESCOCC1CCCC1NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H22N2O2/c1-22-12-14-8-5-10-16(14)19-18(21)20-17-11-4-7-13-6-2-3-9-15(13)17/h2-4,6-7,9,11,14,16H,5,8,10,12H2,1H3,(H2,19,20,21)
InChIKeyUVNMRISDUONBPG-UHFFFAOYSA-N
XLogP3.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminocyclopentyl)-3-(2-methoxyphenyl)urea
CID 63251747
1-(3-methylpiperidin-4-yl)-3-naphthalen-1-ylurea
CID 79872878
1-naphthalen-1-yl-3-(oxolan-2-yl)urea
CID 108887867
1-naphthalen-1-yl-3-piperidin-4-ylurea
CID 16790595
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-2-(4-phenylphenyl)acetamide
CID 91763160
1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-naphthalen-1-ylurea
CID 141069770
1-(2-aminocycloheptyl)-3-(2-methoxyphenyl)urea
CID 63258521
1-[2-(methoxymethyl)phenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea
CID 94081568
benzyl N-[(1S)-2-(methoxymethyl)cyclohexyl]carbamate
CID 174499936
(2S)-3-methoxy-2-(naphthalen-1-ylcarbamoylamino)propanamide
CID 99796982

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)cyclopentyl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[2-(methoxymethyl)cyclopentyl]-3-naphthalen-1-ylurea (CID 156609749) is 1-[2-(methoxymethyl)cyclopentyl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[2-(methoxymethyl)cyclopentyl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[2-(methoxymethyl)cyclopentyl]-3-naphthalen-1-ylurea is COCC1CCCC1NC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-[2-(methoxymethyl)cyclopentyl]-3-naphthalen-1-ylurea?
The InChIKey is UVNMRISDUONBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-22-12-14-8-5-10-16(14)19-18(21)20-17-11-4-7-13-6-2-3-9-15(13)17/h2-4,6-7,9,11,14,16H,5,8,10,12H2,1H3,(H2,19,20,21).
What are the key properties of 1-[2-(methoxymethyl)cyclopentyl]-3-naphthalen-1-ylurea?
1-[2-(methoxymethyl)cyclopentyl]-3-naphthalen-1-ylurea has a molecular weight of 298.39 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)cyclopentyl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 156609749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).