1-(cyclopropylmethyl)-3-(4-hydroxycyclohexyl)-1-[(4-hydroxyphenyl)methyl]urea

C18H26N2O3 — CID 111432806

IUPAC1-(cyclopropylmethyl)-3-(4-hydroxycyclohexyl)-1-[(4-hydroxyphenyl)methyl]urea
SMILESO=C(NC1CCC(O)CC1)N(Cc1ccc(O)cc1)CC1CC1
InChIInChI=1S/C18H26N2O3/c21-16-7-3-14(4-8-16)12-20(11-13-1-2-13)18(23)19-15-5-9-17(22)10-6-15/h3-4,7-8,13,15,17,21-22H,1-2,5-6,9-12H2,(H,19,23)
InChIKeyIMUKCEMOWNQFEQ-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.62
Rot. Bonds5

About 1-(cyclopropylmethyl)-3-(4-hydroxycyclohexyl)-1-[(4-hydroxyphenyl)methyl]urea

1-(cyclopropylmethyl)-3-(4-hydroxycyclohexyl)-1-[(4-hydroxyphenyl)methyl]urea (PubChem CID 111432806) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(4-hydroxycyclohexyl)-1-[(4-hydroxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(4-hydroxycyclohexyl)-1-[(4-hydroxyphenyl)methyl]urea
PubChem CID111432806
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-(cyclopropylmethyl)-3-(4-hydroxycyclohexyl)-1-[(4-hydroxyphenyl)methyl]urea
SMILESO=C(NC1CCC(O)CC1)N(Cc1ccc(O)cc1)CC1CC1
InChIInChI=1S/C18H26N2O3/c21-16-7-3-14(4-8-16)12-20(11-13-1-2-13)18(23)19-15-5-9-17(22)10-6-15/h3-4,7-8,13,15,17,21-22H,1-2,5-6,9-12H2,(H,19,23)
InChIKeyIMUKCEMOWNQFEQ-UHFFFAOYSA-N
XLogP2.62
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122023364
4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025029
4-[[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]carbamoyl]amino]butanoic acid
CID 122023092
4-[[benzyl(oxan-4-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122023573
2-cyclohexyl-N-(cyclopropylmethyl)-2-hydroxy-N-[(4-hydroxyphenyl)methyl]acetamide
CID 136534363
1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-hydroxycyclohexyl)urea
CID 110901151
1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 156782429
N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-4-methylmorpholine-2-carboxamide
CID 75384529
1-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97078030
1-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97078031
4-[(dimethylamino)methyl]-N-(4-hydroxycyclohexyl)benzamide
CID 43393996
benzyl(cyclopropylmethyl)carbamic acid
CID 68617171

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(4-hydroxycyclohexyl)-1-[(4-hydroxyphenyl)methyl]urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-(4-hydroxycyclohexyl)-1-[(4-hydroxyphenyl)methyl]urea (CID 111432806) is 1-(cyclopropylmethyl)-3-(4-hydroxycyclohexyl)-1-[(4-hydroxyphenyl)methyl]urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(4-hydroxycyclohexyl)-1-[(4-hydroxyphenyl)methyl]urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(4-hydroxycyclohexyl)-1-[(4-hydroxyphenyl)methyl]urea is O=C(NC1CCC(O)CC1)N(Cc1ccc(O)cc1)CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(4-hydroxycyclohexyl)-1-[(4-hydroxyphenyl)methyl]urea?
The InChIKey is IMUKCEMOWNQFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-16-7-3-14(4-8-16)12-20(11-13-1-2-13)18(23)19-15-5-9-17(22)10-6-15/h3-4,7-8,13,15,17,21-22H,1-2,5-6,9-12H2,(H,19,23).
What are the key properties of 1-(cyclopropylmethyl)-3-(4-hydroxycyclohexyl)-1-[(4-hydroxyphenyl)methyl]urea?
1-(cyclopropylmethyl)-3-(4-hydroxycyclohexyl)-1-[(4-hydroxyphenyl)methyl]urea has a molecular weight of 318.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(4-hydroxycyclohexyl)-1-[(4-hydroxyphenyl)methyl]urea is sourced from PubChem (CID 111432806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).