1-[1-(4-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea

C19H24N2O4 — CID 87008929

IUPAC1-[1-(4-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NC(C)c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C19H24N2O4/c1-12-6-8-14(9-7-12)13(2)20-19(22)21-15-10-16(23-3)18(25-5)17(11-15)24-4/h6-11,13H,1-5H3,(H2,20,21,22)
InChIKeyPTCWGRBEGFSYAE-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.90
Rot. Bonds6

About 1-[1-(4-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea

1-[1-(4-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 87008929) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID87008929
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1-[1-(4-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NC(C)c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C19H24N2O4/c1-12-6-8-14(9-7-12)13(2)20-19(22)21-15-10-16(23-3)18(25-5)17(11-15)24-4/h6-11,13H,1-5H3,(H2,20,21,22)
InChIKeyPTCWGRBEGFSYAE-UHFFFAOYSA-N
XLogP3.90
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyridazin-4-yl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 126817252
1-(3,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108869400
[2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 95181099
1-(3-fluoro-4-methylphenyl)-3-[1-(4-methylphenyl)ethyl]urea
CID 17087489
1-methyl-3-(3,4,5-trimethoxyphenyl)urea
CID 17171369
1-(3,5-difluoro-4-methoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 87035526
1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea
CID 108869391
1-(2-bromo-4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866764
N-[1-(4-chlorophenyl)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide
CID 78793054
1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 99841259
1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea
CID 45147289
1-(4-methylphenyl)-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea
CID 27734788

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-[1-(4-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea (CID 87008929) is 1-[1-(4-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-[1-(4-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-[1-(4-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea is COc1cc(NC(=O)NC(C)c2ccc(C)cc2)cc(OC)c1OC.
What is the InChIKey of 1-[1-(4-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is PTCWGRBEGFSYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-12-6-8-14(9-7-12)13(2)20-19(22)21-15-10-16(23-3)18(25-5)17(11-15)24-4/h6-11,13H,1-5H3,(H2,20,21,22).
What are the key properties of 1-[1-(4-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
1-[1-(4-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 344.41 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 87008929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).