1-methyl-3-[2-(N-methylanilino)ethyl]-1-(3-methylcyclohexyl)urea

C18H29N3O — CID 112834837

IUPAC1-methyl-3-[2-(N-methylanilino)ethyl]-1-(3-methylcyclohexyl)urea
SMILESCC1CCCC(N(C)C(=O)NCCN(C)c2ccccc2)C1
InChIInChI=1S/C18H29N3O/c1-15-8-7-11-17(14-15)21(3)18(22)19-12-13-20(2)16-9-5-4-6-10-16/h4-6,9-10,15,17H,7-8,11-14H2,1-3H3,(H,19,22)
InChIKeyYLDKAEYKHDQYSB-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.34
Rot. Bonds5

About 1-methyl-3-[2-(N-methylanilino)ethyl]-1-(3-methylcyclohexyl)urea

1-methyl-3-[2-(N-methylanilino)ethyl]-1-(3-methylcyclohexyl)urea (PubChem CID 112834837) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-methyl-3-[2-(N-methylanilino)ethyl]-1-(3-methylcyclohexyl)urea.

Molecular Properties

Compound Name1-methyl-3-[2-(N-methylanilino)ethyl]-1-(3-methylcyclohexyl)urea
PubChem CID112834837
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name1-methyl-3-[2-(N-methylanilino)ethyl]-1-(3-methylcyclohexyl)urea
SMILESCC1CCCC(N(C)C(=O)NCCN(C)c2ccccc2)C1
InChIInChI=1S/C18H29N3O/c1-15-8-7-11-17(14-15)21(3)18(22)19-12-13-20(2)16-9-5-4-6-10-16/h4-6,9-10,15,17H,7-8,11-14H2,1-3H3,(H,19,22)
InChIKeyYLDKAEYKHDQYSB-UHFFFAOYSA-N
XLogP3.34
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3-[2-(N-methylanilino)ethyl]-1-(3-methylcyclohexyl)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

1-methyl-1-(3-methylcyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 112831555
2-methyl-4-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid
CID 80541792
(2S)-2-hydroxy-4-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid
CID 114007276
cis-(1R,2S)-2-[2-(N-methylanilino)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124524957
1-amino-3-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide
CID 64552119
3-hydroxy-3-methyl-4-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid
CID 66003800
1-acetyl-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide
CID 86911818
1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-3-[2-(N-methylanilino)ethyl]urea
CID 98775452
(2S)-N-[2-(N-methylanilino)ethyl]oxane-2-carboxamide
CID 99576902
1-methyl-1-(3-methylcyclohexyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea
CID 112837748
(2S)-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide
CID 61260470
1-methyl-1-(3-methylcyclohexyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 112831729

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(N-methylanilino)ethyl]-1-(3-methylcyclohexyl)urea?
The IUPAC name of 1-methyl-3-[2-(N-methylanilino)ethyl]-1-(3-methylcyclohexyl)urea (CID 112834837) is 1-methyl-3-[2-(N-methylanilino)ethyl]-1-(3-methylcyclohexyl)urea.
What is the SMILES notation for 1-methyl-3-[2-(N-methylanilino)ethyl]-1-(3-methylcyclohexyl)urea?
The canonical SMILES for 1-methyl-3-[2-(N-methylanilino)ethyl]-1-(3-methylcyclohexyl)urea is CC1CCCC(N(C)C(=O)NCCN(C)c2ccccc2)C1.
What is the InChIKey of 1-methyl-3-[2-(N-methylanilino)ethyl]-1-(3-methylcyclohexyl)urea?
The InChIKey is YLDKAEYKHDQYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-15-8-7-11-17(14-15)21(3)18(22)19-12-13-20(2)16-9-5-4-6-10-16/h4-6,9-10,15,17H,7-8,11-14H2,1-3H3,(H,19,22).
What are the key properties of 1-methyl-3-[2-(N-methylanilino)ethyl]-1-(3-methylcyclohexyl)urea?
1-methyl-3-[2-(N-methylanilino)ethyl]-1-(3-methylcyclohexyl)urea has a molecular weight of 303.45 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(N-methylanilino)ethyl]-1-(3-methylcyclohexyl)urea is sourced from PubChem (CID 112834837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).