1-propyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea

C14H22N2O4 — CID 47330110

IUPAC1-propyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea
SMILESCCCNC(=O)NCc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C14H22N2O4/c1-5-6-15-14(17)16-9-11-12(19-3)7-10(18-2)8-13(11)20-4/h7-8H,5-6,9H2,1-4H3,(H2,15,16,17)
InChIKeyXRLWONFCGKAPNI-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.92
Rot. Bonds7

About 1-propyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea

1-propyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea (PubChem CID 47330110) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-propyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-propyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea
PubChem CID47330110
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name1-propyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea
SMILESCCCNC(=O)NCc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C14H22N2O4/c1-5-6-15-14(17)16-9-11-12(19-3)7-10(18-2)8-13(11)20-4/h7-8H,5-6,9H2,1-4H3,(H2,15,16,17)
InChIKeyXRLWONFCGKAPNI-UHFFFAOYSA-N
XLogP1.92
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-propylurea
CID 112975595
1-[(4-methoxyphenyl)methyl]-3-propylurea
CID 41355184
1-butyl-3-[(2,4-dimethoxyphenyl)methyl]urea
CID 47277958
1-[(2-methoxyphenyl)methyl]-3-propylurea
CID 94828368
3-amino-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119295082
(2-hydroxy-4,6-dimethoxyphenyl)methylcarbamic acid
CID 172824668
methyl 3-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
CID 43344264
2-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide
CID 110784312
ethyl 2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
CID 61498510
N-[(2,4,6-trimethoxyphenyl)methyl]pentan-1-amine
CID 43090921
N-[(2,4-dimethoxy-6-methylphenyl)methyl]carbamoyl chloride
CID 115194702
1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea
CID 113214568

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea?
The IUPAC name of 1-propyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea (CID 47330110) is 1-propyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea.
What is the SMILES notation for 1-propyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea?
The canonical SMILES for 1-propyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea is CCCNC(=O)NCc1c(OC)cc(OC)cc1OC.
What is the InChIKey of 1-propyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea?
The InChIKey is XRLWONFCGKAPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-5-6-15-14(17)16-9-11-12(19-3)7-10(18-2)8-13(11)20-4/h7-8H,5-6,9H2,1-4H3,(H2,15,16,17).
What are the key properties of 1-propyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea?
1-propyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea has a molecular weight of 282.34 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea is sourced from PubChem (CID 47330110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).