1-(cyclohexylmethyl)-1-cyclopropyl-3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]urea

C22H34N2O3 — CID 55912417

IUPAC1-(cyclohexylmethyl)-1-cyclopropyl-3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]urea
SMILESCOc1cc(C)c(C(C)NC(=O)N(CC2CCCCC2)C2CC2)cc1OC
InChIInChI=1S/C22H34N2O3/c1-15-12-20(26-3)21(27-4)13-19(15)16(2)23-22(25)24(18-10-11-18)14-17-8-6-5-7-9-17/h12-13,16-18H,5-11,14H2,1-4H3,(H,23,25)
InChIKeyIQJUGKIZFDBRKL-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.83
Rot. Bonds7

About 1-(cyclohexylmethyl)-1-cyclopropyl-3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]urea

1-(cyclohexylmethyl)-1-cyclopropyl-3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]urea (PubChem CID 55912417) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-1-cyclopropyl-3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-1-cyclopropyl-3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]urea
PubChem CID55912417
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name1-(cyclohexylmethyl)-1-cyclopropyl-3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]urea
SMILESCOc1cc(C)c(C(C)NC(=O)N(CC2CCCCC2)C2CC2)cc1OC
InChIInChI=1S/C22H34N2O3/c1-15-12-20(26-3)21(27-4)13-19(15)16(2)23-22(25)24(18-10-11-18)14-17-8-6-5-7-9-17/h12-13,16-18H,5-11,14H2,1-4H3,(H,23,25)
InChIKeyIQJUGKIZFDBRKL-UHFFFAOYSA-N
XLogP4.83
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-1-cyclopropyl-3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]urea?
The IUPAC name of 1-(cyclohexylmethyl)-1-cyclopropyl-3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]urea (CID 55912417) is 1-(cyclohexylmethyl)-1-cyclopropyl-3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(cyclohexylmethyl)-1-cyclopropyl-3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(cyclohexylmethyl)-1-cyclopropyl-3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]urea is COc1cc(C)c(C(C)NC(=O)N(CC2CCCCC2)C2CC2)cc1OC.
What is the InChIKey of 1-(cyclohexylmethyl)-1-cyclopropyl-3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]urea?
The InChIKey is IQJUGKIZFDBRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-15-12-20(26-3)21(27-4)13-19(15)16(2)23-22(25)24(18-10-11-18)14-17-8-6-5-7-9-17/h12-13,16-18H,5-11,14H2,1-4H3,(H,23,25).
What are the key properties of 1-(cyclohexylmethyl)-1-cyclopropyl-3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]urea?
1-(cyclohexylmethyl)-1-cyclopropyl-3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]urea has a molecular weight of 374.53 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-1-cyclopropyl-3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]urea is sourced from PubChem (CID 55912417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).