1-cyclopropyl-3-(4-hydroxycyclohexyl)-1-[(2-methoxyphenyl)methyl]urea

C18H26N2O3 — CID 110901159

IUPAC1-cyclopropyl-3-(4-hydroxycyclohexyl)-1-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CN(C(=O)NC1CCC(O)CC1)C1CC1
InChIInChI=1S/C18H26N2O3/c1-23-17-5-3-2-4-13(17)12-20(15-8-9-15)18(22)19-14-6-10-16(21)11-7-14/h2-5,14-16,21H,6-12H2,1H3,(H,19,22)
InChIKeyDQYZAPFTPGEFML-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.67
Rot. Bonds5

About 1-cyclopropyl-3-(4-hydroxycyclohexyl)-1-[(2-methoxyphenyl)methyl]urea

1-cyclopropyl-3-(4-hydroxycyclohexyl)-1-[(2-methoxyphenyl)methyl]urea (PubChem CID 110901159) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4-hydroxycyclohexyl)-1-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(4-hydroxycyclohexyl)-1-[(2-methoxyphenyl)methyl]urea
PubChem CID110901159
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-cyclopropyl-3-(4-hydroxycyclohexyl)-1-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CN(C(=O)NC1CCC(O)CC1)C1CC1
InChIInChI=1S/C18H26N2O3/c1-23-17-5-3-2-4-13(17)12-20(15-8-9-15)18(22)19-14-6-10-16(21)11-7-14/h2-5,14-16,21H,6-12H2,1H3,(H,19,22)
InChIKeyDQYZAPFTPGEFML-UHFFFAOYSA-N
XLogP2.67
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-3-(4-hydroxycyclohexyl)-1-[(2-methoxyphenyl)methyl]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

4-[[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025051
ethyl N-cyclopropyl-N-[(2-methoxyphenyl)methyl]carbamate
CID 61068925
N-cyclopropyl-2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 79272398
(2R)-2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 54995705
3-cyclohexyl-1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]urea
CID 4276870
N-cyclopropyl-2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119715404
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-hydroxycyclohexyl)propanamide
CID 84565814
1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-hydroxycyclohexyl)urea
CID 110901151
2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]butanamide
CID 54872454
1-ethyl-3-(4-hydroxycyclohexyl)-2-[(2-methoxyphenyl)methyl]guanidine
CID 111189862
3-(3-cyanophenyl)-1-cyclopropyl-1-[(2-methoxyphenyl)methyl]urea
CID 47049656
N'-cyclopropyl-N-[(2-methoxyphenyl)methyl]oxamide
CID 578186

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4-hydroxycyclohexyl)-1-[(2-methoxyphenyl)methyl]urea?
The IUPAC name of 1-cyclopropyl-3-(4-hydroxycyclohexyl)-1-[(2-methoxyphenyl)methyl]urea (CID 110901159) is 1-cyclopropyl-3-(4-hydroxycyclohexyl)-1-[(2-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-(4-hydroxycyclohexyl)-1-[(2-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-(4-hydroxycyclohexyl)-1-[(2-methoxyphenyl)methyl]urea is COc1ccccc1CN(C(=O)NC1CCC(O)CC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(4-hydroxycyclohexyl)-1-[(2-methoxyphenyl)methyl]urea?
The InChIKey is DQYZAPFTPGEFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-23-17-5-3-2-4-13(17)12-20(15-8-9-15)18(22)19-14-6-10-16(21)11-7-14/h2-5,14-16,21H,6-12H2,1H3,(H,19,22).
What are the key properties of 1-cyclopropyl-3-(4-hydroxycyclohexyl)-1-[(2-methoxyphenyl)methyl]urea?
1-cyclopropyl-3-(4-hydroxycyclohexyl)-1-[(2-methoxyphenyl)methyl]urea has a molecular weight of 318.42 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4-hydroxycyclohexyl)-1-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 110901159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).