1-(2,5-dimethoxyphenyl)-3-(2-phenylbutyl)urea

C19H24N2O3 — CID 47016124

IUPAC1-(2,5-dimethoxyphenyl)-3-(2-phenylbutyl)urea
SMILESCCC(CNC(=O)Nc1cc(OC)ccc1OC)c1ccccc1
InChIInChI=1S/C19H24N2O3/c1-4-14(15-8-6-5-7-9-15)13-20-19(22)21-17-12-16(23-2)10-11-18(17)24-3/h5-12,14H,4,13H2,1-3H3,(H2,20,21,22)
InChIKeyCAKOZQNDDIULEQ-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.02
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)-3-(2-phenylbutyl)urea

1-(2,5-dimethoxyphenyl)-3-(2-phenylbutyl)urea (PubChem CID 47016124) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-(2-phenylbutyl)urea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-(2-phenylbutyl)urea
PubChem CID47016124
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-(2,5-dimethoxyphenyl)-3-(2-phenylbutyl)urea
SMILESCCC(CNC(=O)Nc1cc(OC)ccc1OC)c1ccccc1
InChIInChI=1S/C19H24N2O3/c1-4-14(15-8-6-5-7-9-15)13-20-19(22)21-17-12-16(23-2)10-11-18(17)24-3/h5-12,14H,4,13H2,1-3H3,(H2,20,21,22)
InChIKeyCAKOZQNDDIULEQ-UHFFFAOYSA-N
XLogP4.02
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-3-(2-phenylbutyl)urea
CID 46647393
1-(2,5-dimethoxyphenyl)-3-[(1R)-1-phenylethyl]urea
CID 40636304
1-(2,5-dimethoxyphenyl)-3-[(1S)-1-phenylethyl]urea
CID 40636303
1-(4-hydroxy-2-phenylbutyl)-3-(2-methoxy-5-methylphenyl)urea
CID 111452697
1-(2,5-dimethoxyphenyl)-3-(2-ethylhexyl)urea
CID 75864935
1-(2,5-dimethoxyphenyl)-3-(2-phenylsulfanylethyl)urea
CID 47032218
N-[4-methoxy-3-(2-phenylpropylcarbamoylamino)phenyl]acetamide
CID 47033004
2-[(2,5-dimethoxyphenyl)carbamoylamino]butanoic acid
CID 61181758
N-(2,5-dimethoxyphenyl)-N'-(1-phenylethyl)oxamide
CID 4058268
[(1R)-2-(2,5-dimethoxyanilino)-2-oxo-1-phenylethyl] acetate
CID 41098079
3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
CID 43822665
1-(5-chloro-2-methoxyphenyl)-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
CID 55697126

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-(2-phenylbutyl)urea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-(2-phenylbutyl)urea (CID 47016124) is 1-(2,5-dimethoxyphenyl)-3-(2-phenylbutyl)urea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-(2-phenylbutyl)urea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-(2-phenylbutyl)urea is CCC(CNC(=O)Nc1cc(OC)ccc1OC)c1ccccc1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-(2-phenylbutyl)urea?
The InChIKey is CAKOZQNDDIULEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-4-14(15-8-6-5-7-9-15)13-20-19(22)21-17-12-16(23-2)10-11-18(17)24-3/h5-12,14H,4,13H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-(2-phenylbutyl)urea?
1-(2,5-dimethoxyphenyl)-3-(2-phenylbutyl)urea has a molecular weight of 328.41 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-(2-phenylbutyl)urea is sourced from PubChem (CID 47016124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).