1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea

C17H27N3O2 — CID 2079298

IUPAC1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCC1(N(C)C)CCCCC1
InChIInChI=1S/C17H27N3O2/c1-20(2)17(11-7-4-8-12-17)13-18-16(21)19-14-9-5-6-10-15(14)22-3/h5-6,9-10H,4,7-8,11-13H2,1-3H3,(H2,18,19,21)
InChIKeyQPMZHWNTQQZUAV-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.08
Rot. Bonds5

About 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea

1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea (PubChem CID 2079298) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea
PubChem CID2079298
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCC1(N(C)C)CCCCC1
InChIInChI=1S/C17H27N3O2/c1-20(2)17(11-7-4-8-12-17)13-18-16(21)19-14-9-5-6-10-15(14)22-3/h5-6,9-10H,4,7-8,11-13H2,1-3H3,(H2,18,19,21)
InChIKeyQPMZHWNTQQZUAV-UHFFFAOYSA-N
XLogP3.08
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea (CID 2079298) is 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NCC1(N(C)C)CCCCC1.
What is the InChIKey of 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea?
The InChIKey is QPMZHWNTQQZUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-20(2)17(11-7-4-8-12-17)13-18-16(21)19-14-9-5-6-10-15(14)22-3/h5-6,9-10H,4,7-8,11-13H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea?
1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea has a molecular weight of 305.42 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 2079298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).