3-(4-methoxyphenyl)-1,1-dipropylurea

C14H22N2O2 — CID 3574765

IUPAC3-(4-methoxyphenyl)-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C14H22N2O2/c1-4-10-16(11-5-2)14(17)15-12-6-8-13(18-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,15,17)
InChIKeyYPGLDRUMWWCCIQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.35
Rot. Bonds6

About 3-(4-methoxyphenyl)-1,1-dipropylurea

3-(4-methoxyphenyl)-1,1-dipropylurea (PubChem CID 3574765) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1,1-dipropylurea.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1,1-dipropylurea
PubChem CID3574765
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-(4-methoxyphenyl)-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C14H22N2O2/c1-4-10-16(11-5-2)14(17)15-12-6-8-13(18-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,15,17)
InChIKeyYPGLDRUMWWCCIQ-UHFFFAOYSA-N
XLogP3.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(4-methoxyphenyl)carbamoyl-propylamino]acetate
CID 60969496
2-[4-(dipropylcarbamoylamino)phenoxy]acetic acid
CID 63770820
3-(4-aminophenyl)-1,1-dipropylurea
CID 43468918
3-[4-[[4-(dipropylcarbamoylamino)phenyl]methyl]phenyl]-1,1-dipropylurea
CID 3593543
1,1-bis(cyanomethyl)-3-(4-methoxyphenyl)urea
CID 51050088
2-(dipropylamino)-N-(4-methoxyphenyl)acetamide
CID 54817180
1-N-(4-methoxyphenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
CID 108980280
N-(4-methoxyphenyl)-2-[methyl(propyl)amino]acetamide;propane
CID 145342078
4-N-(4-methoxyphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109090576
3-[4-[1-(methylamino)ethyl]phenyl]-1,1-dipropylurea
CID 61339464
N-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135977
1,3-bis(4-methoxyphenyl)urea
CID 139045428

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1,1-dipropylurea?
The IUPAC name of 3-(4-methoxyphenyl)-1,1-dipropylurea (CID 3574765) is 3-(4-methoxyphenyl)-1,1-dipropylurea.
What is the SMILES notation for 3-(4-methoxyphenyl)-1,1-dipropylurea?
The canonical SMILES for 3-(4-methoxyphenyl)-1,1-dipropylurea is CCCN(CCC)C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1,1-dipropylurea?
The InChIKey is YPGLDRUMWWCCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-10-16(11-5-2)14(17)15-12-6-8-13(18-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,15,17).
What are the key properties of 3-(4-methoxyphenyl)-1,1-dipropylurea?
3-(4-methoxyphenyl)-1,1-dipropylurea has a molecular weight of 250.34 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1,1-dipropylurea is sourced from PubChem (CID 3574765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).