1-(3-methylphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea

C19H24N2O4 — CID 113217127

IUPAC1-(3-methylphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
SMILESCOc1cc(CCNC(=O)Nc2cccc(C)c2)cc(OC)c1OC
InChIInChI=1S/C19H24N2O4/c1-13-6-5-7-15(10-13)21-19(22)20-9-8-14-11-16(23-2)18(25-4)17(12-14)24-3/h5-7,10-12H,8-9H2,1-4H3,(H2,20,21,22)
InChIKeyPQJRMKDUCZSNSR-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.39
Rot. Bonds7

About 1-(3-methylphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea

1-(3-methylphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea (PubChem CID 113217127) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
PubChem CID113217127
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1-(3-methylphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
SMILESCOc1cc(CCNC(=O)Nc2cccc(C)c2)cc(OC)c1OC
InChIInChI=1S/C19H24N2O4/c1-13-6-5-7-15(10-13)21-19(22)20-9-8-14-11-16(23-2)18(25-4)17(12-14)24-3/h5-7,10-12H,8-9H2,1-4H3,(H2,20,21,22)
InChIKeyPQJRMKDUCZSNSR-UHFFFAOYSA-N
XLogP3.39
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylphenyl)urea
CID 6464688
1-[2-(3-bromophenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 108866790
1-(4-propan-2-yloxyphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217169
1-[2-(3-methylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 38155146
1-(3-methoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 3774763
N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamoyl bromide
CID 115193996
3,4,5-trimethoxy-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 27166909
1-(3-phenylpropyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217114
1-[2-(2-bromophenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 49110521
1-[2-(4-fluorophenyl)ethyl]-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217101
1-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 10506672
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea
CID 60544439

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-(3-methylphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea (CID 113217127) is 1-(3-methylphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(3-methylphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea is COc1cc(CCNC(=O)Nc2cccc(C)c2)cc(OC)c1OC.
What is the InChIKey of 1-(3-methylphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea?
The InChIKey is PQJRMKDUCZSNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13-6-5-7-15(10-13)21-19(22)20-9-8-14-11-16(23-2)18(25-4)17(12-14)24-3/h5-7,10-12H,8-9H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-(3-methylphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea?
1-(3-methylphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea has a molecular weight of 344.41 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 113217127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).