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

C16H24N2O2 — CID 110445113

IUPAC1,1-diethyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
SMILESCCN(CC)C(=O)NCC1(c2ccc(OC)cc2)CC1
InChIInChI=1S/C16H24N2O2/c1-4-18(5-2)15(19)17-12-16(10-11-16)13-6-8-14(20-3)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H,17,19)
InChIKeyIXYYZCBCHBRHKW-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.78
Rot. Bonds6

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

1,1-diethyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea (PubChem CID 110445113) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1,1-diethyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
PubChem CID110445113
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1,1-diethyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
SMILESCCN(CC)C(=O)NCC1(c2ccc(OC)cc2)CC1
InChIInChI=1S/C16H24N2O2/c1-4-18(5-2)15(19)17-12-16(10-11-16)13-6-8-14(20-3)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H,17,19)
InChIKeyIXYYZCBCHBRHKW-UHFFFAOYSA-N
XLogP2.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1,1-dipropylurea
CID 113214648
1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea
CID 113214568
1,1-diethyl-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215626
3-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoyl-methylamino]propanoic acid
CID 122009760
1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea
CID 2988168
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide
CID 113090752
2-amino-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-methylbutanamide
CID 110481439
1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214574
N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide
CID 110478485
1-[(4-fluorophenyl)methyl]-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214597
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,2-diphenylacetamide
CID 113090745
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]formamide
CID 110477111

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea?
The IUPAC name of 1,1-diethyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea (CID 110445113) is 1,1-diethyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1,1-diethyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea is CCN(CC)C(=O)NCC1(c2ccc(OC)cc2)CC1.
What is the InChIKey of 1,1-diethyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea?
The InChIKey is IXYYZCBCHBRHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-18(5-2)15(19)17-12-16(10-11-16)13-6-8-14(20-3)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H,17,19).
What are the key properties of 1,1-diethyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea?
1,1-diethyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea has a molecular weight of 276.38 g/mol, XLogP of 2.78, 6 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]methyl]urea is sourced from PubChem (CID 110445113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).