1-ethyl-3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]urea

C17H26N2O2 — CID 110894693

IUPAC1-ethyl-3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]urea
SMILESCCN(Cc1ccccc1C)C(=O)NC1CCC(O)CC1
InChIInChI=1S/C17H26N2O2/c1-3-19(12-14-7-5-4-6-13(14)2)17(21)18-15-8-10-16(20)11-9-15/h4-7,15-16,20H,3,8-12H2,1-2H3,(H,18,21)
InChIKeyGFQCMYOQRVIMDT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.83
Rot. Bonds4

About 1-ethyl-3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]urea

1-ethyl-3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]urea (PubChem CID 110894693) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-ethyl-3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]urea
PubChem CID110894693
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-ethyl-3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]urea
SMILESCCN(Cc1ccccc1C)C(=O)NC1CCC(O)CC1
InChIInChI=1S/C17H26N2O2/c1-3-19(12-14-7-5-4-6-13(14)2)17(21)18-15-8-10-16(20)11-9-15/h4-7,15-16,20H,3,8-12H2,1-2H3,(H,18,21)
InChIKeyGFQCMYOQRVIMDT-UHFFFAOYSA-N
XLogP2.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-aminophenyl)methyl]-3-cyclobutyl-1-ethylurea
CID 116653604
3-cyclopropyl-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 47848242
4-[[(2-bromophenyl)methyl-ethylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024060
N-cyclopropyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 71944218
1-[(2-fluorophenyl)methyl]-3-(4-hydroxycyclohexyl)-1-methylurea
CID 47238706
1-ethyl-1-[(2-methylphenyl)methyl]-3-pyridin-2-ylurea
CID 47267033
1-cyclopropyl-3-(4-hydroxycyclohexyl)-1-[(2-methoxyphenyl)methyl]urea
CID 110901159
1-ethyl-1-[(2-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)urea
CID 138054522
2-[butanoyl-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132761148
4-[ethyl-[(2-methylphenyl)methyl]amino]-4-oxobutanoic acid
CID 39351791
2-(tert-butylamino)-N-ethyl-N-[(2-methylphenyl)methyl]acetamide
CID 112727493
N-cyclopropyl-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138741

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]urea?
The IUPAC name of 1-ethyl-3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]urea (CID 110894693) is 1-ethyl-3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]urea.
What is the SMILES notation for 1-ethyl-3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]urea?
The canonical SMILES for 1-ethyl-3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]urea is CCN(Cc1ccccc1C)C(=O)NC1CCC(O)CC1.
What is the InChIKey of 1-ethyl-3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]urea?
The InChIKey is GFQCMYOQRVIMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-19(12-14-7-5-4-6-13(14)2)17(21)18-15-8-10-16(20)11-9-15/h4-7,15-16,20H,3,8-12H2,1-2H3,(H,18,21).
What are the key properties of 1-ethyl-3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]urea?
1-ethyl-3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]urea has a molecular weight of 290.41 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]urea is sourced from PubChem (CID 110894693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).