1-[1-(4-methoxyphenyl)propyl]-3-propylurea

C14H22N2O2 — CID 133230838

IUPAC1-[1-(4-methoxyphenyl)propyl]-3-propylurea
SMILESCCCNC(=O)NC(CC)c1ccc(OC)cc1
InChIInChI=1S/C14H22N2O2/c1-4-10-15-14(17)16-13(5-2)11-6-8-12(18-3)9-7-11/h6-9,13H,4-5,10H2,1-3H3,(H2,15,16,17)
InChIKeyXBOSKHPXVGNBOF-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.86
Rot. Bonds6

About 1-[1-(4-methoxyphenyl)propyl]-3-propylurea

1-[1-(4-methoxyphenyl)propyl]-3-propylurea (PubChem CID 133230838) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)propyl]-3-propylurea.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)propyl]-3-propylurea
PubChem CID133230838
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[1-(4-methoxyphenyl)propyl]-3-propylurea
SMILESCCCNC(=O)NC(CC)c1ccc(OC)cc1
InChIInChI=1S/C14H22N2O2/c1-4-10-15-14(17)16-13(5-2)11-6-8-12(18-3)9-7-11/h6-9,13H,4-5,10H2,1-3H3,(H2,15,16,17)
InChIKeyXBOSKHPXVGNBOF-UHFFFAOYSA-N
XLogP2.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-3-propylurea
CID 100748636
1-(2-hydroxy-3-methylpentyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 111337836
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
N-cyclopentyl-3-[1-(4-methoxyphenyl)propylcarbamoylamino]propanamide
CID 60569995
3-[1-(4-methoxyphenyl)propylcarbamoylamino]-2,2-dimethylpropanamide
CID 87000051
1-[(2-methoxyphenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 134042538
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
1-[(2-chlorophenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 134042604
1-(2-hydroxy-2-phenylpropyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 111335702
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 111454052
1-[1-(4-methoxyphenyl)propyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 60614436
2-(4-methoxyphenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 46763951

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)propyl]-3-propylurea?
The IUPAC name of 1-[1-(4-methoxyphenyl)propyl]-3-propylurea (CID 133230838) is 1-[1-(4-methoxyphenyl)propyl]-3-propylurea.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)propyl]-3-propylurea?
The canonical SMILES for 1-[1-(4-methoxyphenyl)propyl]-3-propylurea is CCCNC(=O)NC(CC)c1ccc(OC)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)propyl]-3-propylurea?
The InChIKey is XBOSKHPXVGNBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-10-15-14(17)16-13(5-2)11-6-8-12(18-3)9-7-11/h6-9,13H,4-5,10H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-[1-(4-methoxyphenyl)propyl]-3-propylurea?
1-[1-(4-methoxyphenyl)propyl]-3-propylurea has a molecular weight of 250.34 g/mol, XLogP of 2.86, 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)propyl]-3-propylurea is sourced from PubChem (CID 133230838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).