1-[(2,5-dimethoxyphenyl)methyl]-3-(2-propoxyphenyl)urea

C19H24N2O4 — CID 47032719

IUPAC1-[(2,5-dimethoxyphenyl)methyl]-3-(2-propoxyphenyl)urea
SMILESCCCOc1ccccc1NC(=O)NCc1cc(OC)ccc1OC
InChIInChI=1S/C19H24N2O4/c1-4-11-25-18-8-6-5-7-16(18)21-19(22)20-13-14-12-15(23-2)9-10-17(14)24-3/h5-10,12H,4,11,13H2,1-3H3,(H2,20,21,22)
InChIKeyRFKPOILKGIKBLT-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.81
Rot. Bonds8

About 1-[(2,5-dimethoxyphenyl)methyl]-3-(2-propoxyphenyl)urea

1-[(2,5-dimethoxyphenyl)methyl]-3-(2-propoxyphenyl)urea (PubChem CID 47032719) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[(2,5-dimethoxyphenyl)methyl]-3-(2-propoxyphenyl)urea.

Molecular Properties

Compound Name1-[(2,5-dimethoxyphenyl)methyl]-3-(2-propoxyphenyl)urea
PubChem CID47032719
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1-[(2,5-dimethoxyphenyl)methyl]-3-(2-propoxyphenyl)urea
SMILESCCCOc1ccccc1NC(=O)NCc1cc(OC)ccc1OC
InChIInChI=1S/C19H24N2O4/c1-4-11-25-18-8-6-5-7-16(18)21-19(22)20-13-14-12-15(23-2)9-10-17(14)24-3/h5-10,12H,4,11,13H2,1-3H3,(H2,20,21,22)
InChIKeyRFKPOILKGIKBLT-UHFFFAOYSA-N
XLogP3.81
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propoxyphenyl)urea
CID 110911298
1-[(4-fluorophenyl)methyl]-3-(2-propoxyphenyl)urea
CID 38197539
1-[(1-hydroxycyclopentyl)methyl]-3-(2-propoxyphenyl)urea
CID 111103515
1-(2,5-dimethoxyphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 17171312
4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide
CID 26897955
1,3-bis(2-butoxyphenyl)urea
CID 17170447
N-[(2-methoxyphenyl)methyl]-N'-(4-propoxyphenyl)oxamide
CID 125145113
1-(3-hydroxypropyl)-3-(2-propoxyphenyl)urea
CID 110890857
methyl N-(2-propoxyphenyl)carbamate
CID 19872099
1-(2-methoxyphenyl)-3-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]urea
CID 122262605
(2S)-2-amino-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119278486
1-[(3,4-diethoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
CID 100747631

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]-3-(2-propoxyphenyl)urea?
The IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]-3-(2-propoxyphenyl)urea (CID 47032719) is 1-[(2,5-dimethoxyphenyl)methyl]-3-(2-propoxyphenyl)urea.
What is the SMILES notation for 1-[(2,5-dimethoxyphenyl)methyl]-3-(2-propoxyphenyl)urea?
The canonical SMILES for 1-[(2,5-dimethoxyphenyl)methyl]-3-(2-propoxyphenyl)urea is CCCOc1ccccc1NC(=O)NCc1cc(OC)ccc1OC.
What is the InChIKey of 1-[(2,5-dimethoxyphenyl)methyl]-3-(2-propoxyphenyl)urea?
The InChIKey is RFKPOILKGIKBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-4-11-25-18-8-6-5-7-16(18)21-19(22)20-13-14-12-15(23-2)9-10-17(14)24-3/h5-10,12H,4,11,13H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-[(2,5-dimethoxyphenyl)methyl]-3-(2-propoxyphenyl)urea?
1-[(2,5-dimethoxyphenyl)methyl]-3-(2-propoxyphenyl)urea has a molecular weight of 344.41 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethoxyphenyl)methyl]-3-(2-propoxyphenyl)urea is sourced from PubChem (CID 47032719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).