1,1-diethyl-3-[1-(4-methoxyphenyl)cyclopropyl]urea

C15H22N2O2 — CID 113215626

IUPAC1,1-diethyl-3-[1-(4-methoxyphenyl)cyclopropyl]urea
SMILESCCN(CC)C(=O)NC1(c2ccc(OC)cc2)CC1
InChIInChI=1S/C15H22N2O2/c1-4-17(5-2)14(18)16-15(10-11-15)12-6-8-13(19-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,16,18)
InChIKeyAOYYHZZRKHBFCR-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.74
Rot. Bonds5

About 1,1-diethyl-3-[1-(4-methoxyphenyl)cyclopropyl]urea

1,1-diethyl-3-[1-(4-methoxyphenyl)cyclopropyl]urea (PubChem CID 113215626) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1,1-diethyl-3-[1-(4-methoxyphenyl)cyclopropyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[1-(4-methoxyphenyl)cyclopropyl]urea
PubChem CID113215626
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1,1-diethyl-3-[1-(4-methoxyphenyl)cyclopropyl]urea
SMILESCCN(CC)C(=O)NC1(c2ccc(OC)cc2)CC1
InChIInChI=1S/C15H22N2O2/c1-4-17(5-2)14(18)16-15(10-11-15)12-6-8-13(19-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,16,18)
InChIKeyAOYYHZZRKHBFCR-UHFFFAOYSA-N
XLogP2.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-diethyl-3-(1-phenylcyclopropyl)urea
CID 110445142
N-[1-(4-methoxyphenyl)cyclopropyl]propanamide
CID 113091106
ethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate
CID 113091172
1,1-diethyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 110445113
N-ethyl-N-[2-[[1-(4-methoxyphenyl)cyclobutyl]amino]-2-oxoethyl]prop-2-enamide
CID 166410805
1-benzyl-3-[1-(4-methoxyphenyl)cyclopropyl]-1-phenylurea
CID 113215712
[1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid
CID 121483236
N-[1-(4-fluorophenyl)cyclopropyl]-4-methoxybenzamide
CID 110440290
N-[1-(4-methoxyphenyl)cyclobutyl]-3-oxobutanamide
CID 110477390
N-[1-(4-methoxyphenyl)cyclopropyl]-2-phenoxyacetamide
CID 113091147
1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea
CID 2988168
N-[1-(4-methoxyphenyl)cyclopropyl]-3-phenoxypropanamide
CID 113091150

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[1-(4-methoxyphenyl)cyclopropyl]urea?
The IUPAC name of 1,1-diethyl-3-[1-(4-methoxyphenyl)cyclopropyl]urea (CID 113215626) is 1,1-diethyl-3-[1-(4-methoxyphenyl)cyclopropyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[1-(4-methoxyphenyl)cyclopropyl]urea?
The canonical SMILES for 1,1-diethyl-3-[1-(4-methoxyphenyl)cyclopropyl]urea is CCN(CC)C(=O)NC1(c2ccc(OC)cc2)CC1.
What is the InChIKey of 1,1-diethyl-3-[1-(4-methoxyphenyl)cyclopropyl]urea?
The InChIKey is AOYYHZZRKHBFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-17(5-2)14(18)16-15(10-11-15)12-6-8-13(19-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,16,18).
What are the key properties of 1,1-diethyl-3-[1-(4-methoxyphenyl)cyclopropyl]urea?
1,1-diethyl-3-[1-(4-methoxyphenyl)cyclopropyl]urea has a molecular weight of 262.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[1-(4-methoxyphenyl)cyclopropyl]urea is sourced from PubChem (CID 113215626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).