1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea

C15H22N2O2 — CID 113214568

IUPAC1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea
SMILESCCCNC(=O)NCC1(c2ccc(OC)cc2)CC1
InChIInChI=1S/C15H22N2O2/c1-3-10-16-14(18)17-11-15(8-9-15)12-4-6-13(19-2)7-5-12/h4-7H,3,8-11H2,1-2H3,(H2,16,17,18)
InChIKeyLGLIVNMTEQHOFA-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.44
Rot. Bonds6

About 1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea

1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea (PubChem CID 113214568) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea.

Molecular Properties

Compound Name1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea
PubChem CID113214568
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea
SMILESCCCNC(=O)NCC1(c2ccc(OC)cc2)CC1
InChIInChI=1S/C15H22N2O2/c1-3-10-16-14(18)17-11-15(8-9-15)12-4-6-13(19-2)7-5-12/h4-7H,3,8-11H2,1-2H3,(H2,16,17,18)
InChIKeyLGLIVNMTEQHOFA-UHFFFAOYSA-N
XLogP2.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1,1-dipropylurea
CID 113214648
4-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoylamino]butanoic acid
CID 122009757
1,1-diethyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 110445113
1-[(4-fluorophenyl)methyl]-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214597
1-[(4-methoxyphenyl)methyl]-3-propylurea
CID 41355184
1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214574
1-butyl-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
CID 113213956
1-(3,5-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214739
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide
CID 42265583
2-amino-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-methylbutanamide
CID 110481439
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide
CID 113090752
1-(3,4-dimethoxyphenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214699

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea?
The IUPAC name of 1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea (CID 113214568) is 1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea.
What is the SMILES notation for 1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea?
The canonical SMILES for 1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea is CCCNC(=O)NCC1(c2ccc(OC)cc2)CC1.
What is the InChIKey of 1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea?
The InChIKey is LGLIVNMTEQHOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-10-16-14(18)17-11-15(8-9-15)12-4-6-13(19-2)7-5-12/h4-7H,3,8-11H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea?
1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea has a molecular weight of 262.35 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea is sourced from PubChem (CID 113214568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).