1-[1-(methoxymethyl)cyclopropyl]-1-methyl-3-(2-methylnaphthalen-1-yl)urea

C18H22N2O2 — CID 72853713

IUPAC1-[1-(methoxymethyl)cyclopropyl]-1-methyl-3-(2-methylnaphthalen-1-yl)urea
SMILESCOCC1(N(C)C(=O)Nc2c(C)ccc3ccccc23)CC1
InChIInChI=1S/C18H22N2O2/c1-13-8-9-14-6-4-5-7-15(14)16(13)19-17(21)20(2)18(10-11-18)12-22-3/h4-9H,10-12H2,1-3H3,(H,19,21)
InChIKeySGCXXXASSKOSMG-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.79
Rot. Bonds4

About 1-[1-(methoxymethyl)cyclopropyl]-1-methyl-3-(2-methylnaphthalen-1-yl)urea

1-[1-(methoxymethyl)cyclopropyl]-1-methyl-3-(2-methylnaphthalen-1-yl)urea (PubChem CID 72853713) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[1-(methoxymethyl)cyclopropyl]-1-methyl-3-(2-methylnaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-[1-(methoxymethyl)cyclopropyl]-1-methyl-3-(2-methylnaphthalen-1-yl)urea
PubChem CID72853713
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-[1-(methoxymethyl)cyclopropyl]-1-methyl-3-(2-methylnaphthalen-1-yl)urea
SMILESCOCC1(N(C)C(=O)Nc2c(C)ccc3ccccc23)CC1
InChIInChI=1S/C18H22N2O2/c1-13-8-9-14-6-4-5-7-15(14)16(13)19-17(21)20(2)18(10-11-18)12-22-3/h4-9H,10-12H2,1-3H3,(H,19,21)
InChIKeySGCXXXASSKOSMG-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-(methoxymethyl)cyclopropyl]-1-methyl-3-(2-methylnaphthalen-1-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(2-methylnaphthalen-1-yl)amino]-2-oxoacetate
CID 126500414
1-(2-methoxyethyl)-3-(2-methylnaphthalen-1-yl)urea
CID 75427067
ethyl N-(2-methylnaphthalen-1-yl)carbamate
CID 171853862
N-(2-methylnaphthalen-1-yl)-2-naphthalen-1-yloxyacetamide
CID 856175
N-(2-methylnaphthalen-1-yl)but-2-enamide
CID 154201467
N-(2-methylnaphthalen-1-yl)-2-morpholin-4-ium-4-ylacetamide
CID 6951819
methyl 2-[(2-methylnaphthalen-1-yl)amino]propanoate
CID 12769770
1,1-dimethyl-3-[2-(4-methylphenyl)naphthalen-1-yl]urea
CID 132939046
2-(1-benzylazepan-1-ium-1-yl)-N-(2-methylnaphthalen-1-yl)acetamide
CID 155615075
2-[(2-methylnaphthalen-1-yl)amino]propanoic acid
CID 22906744
N-(2-methylnaphthalen-1-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 7409695
N-(2-methylnaphthalen-1-yl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 856171

Frequently Asked Questions

What is the IUPAC name of 1-[1-(methoxymethyl)cyclopropyl]-1-methyl-3-(2-methylnaphthalen-1-yl)urea?
The IUPAC name of 1-[1-(methoxymethyl)cyclopropyl]-1-methyl-3-(2-methylnaphthalen-1-yl)urea (CID 72853713) is 1-[1-(methoxymethyl)cyclopropyl]-1-methyl-3-(2-methylnaphthalen-1-yl)urea.
What is the SMILES notation for 1-[1-(methoxymethyl)cyclopropyl]-1-methyl-3-(2-methylnaphthalen-1-yl)urea?
The canonical SMILES for 1-[1-(methoxymethyl)cyclopropyl]-1-methyl-3-(2-methylnaphthalen-1-yl)urea is COCC1(N(C)C(=O)Nc2c(C)ccc3ccccc23)CC1.
What is the InChIKey of 1-[1-(methoxymethyl)cyclopropyl]-1-methyl-3-(2-methylnaphthalen-1-yl)urea?
The InChIKey is SGCXXXASSKOSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-8-9-14-6-4-5-7-15(14)16(13)19-17(21)20(2)18(10-11-18)12-22-3/h4-9H,10-12H2,1-3H3,(H,19,21).
What are the key properties of 1-[1-(methoxymethyl)cyclopropyl]-1-methyl-3-(2-methylnaphthalen-1-yl)urea?
1-[1-(methoxymethyl)cyclopropyl]-1-methyl-3-(2-methylnaphthalen-1-yl)urea has a molecular weight of 298.39 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methoxymethyl)cyclopropyl]-1-methyl-3-(2-methylnaphthalen-1-yl)urea is sourced from PubChem (CID 72853713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).