1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1-[(2,3,4-trimethoxyphenyl)methyl]urea

C24H32N2O4 — CID 4854199

IUPAC1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1-[(2,3,4-trimethoxyphenyl)methyl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N(C)Cc2ccc(OC)c(OC)c2OC)c1
InChIInChI=1S/C24H32N2O4/c1-16(2)17-10-9-11-19(14-17)24(3,4)25-23(27)26(5)15-18-12-13-20(28-6)22(30-8)21(18)29-7/h9-14H,1,15H2,2-8H3,(H,25,27)
InChIKeyCBQXPOPJLACHLH-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.82
Rot. Bonds8

About 1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1-[(2,3,4-trimethoxyphenyl)methyl]urea

1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1-[(2,3,4-trimethoxyphenyl)methyl]urea (PubChem CID 4854199) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is 1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1-[(2,3,4-trimethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1-[(2,3,4-trimethoxyphenyl)methyl]urea
PubChem CID4854199
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1-[(2,3,4-trimethoxyphenyl)methyl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N(C)Cc2ccc(OC)c(OC)c2OC)c1
InChIInChI=1S/C24H32N2O4/c1-16(2)17-10-9-11-19(14-17)24(3,4)25-23(27)26(5)15-18-12-13-20(28-6)22(30-8)21(18)29-7/h9-14H,1,15H2,2-8H3,(H,25,27)
InChIKeyCBQXPOPJLACHLH-UHFFFAOYSA-N
XLogP4.82
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 110290964
1-(2,5-dimethoxyphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 1371293
2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
CID 22967201
1-cyclohexyl-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 19168372
1-(naphthalen-1-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 3856277
1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(2,3,4-trimethoxyphenyl)methyl]urea
CID 18101661
N,4-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 17399115
cyclopropylmethyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
CID 22966825
[2,2,4-trimethyl-4-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]pentyl] N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
CID 146400909
6-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]hexyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
CID 19917583
1-[2-(diethylamino)ethyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 2307820
N-[3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 18113327

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1-[(2,3,4-trimethoxyphenyl)methyl]urea?
The IUPAC name of 1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1-[(2,3,4-trimethoxyphenyl)methyl]urea (CID 4854199) is 1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1-[(2,3,4-trimethoxyphenyl)methyl]urea.
What is the SMILES notation for 1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1-[(2,3,4-trimethoxyphenyl)methyl]urea?
The canonical SMILES for 1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1-[(2,3,4-trimethoxyphenyl)methyl]urea is C=C(C)c1cccc(C(C)(C)NC(=O)N(C)Cc2ccc(OC)c(OC)c2OC)c1.
What is the InChIKey of 1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1-[(2,3,4-trimethoxyphenyl)methyl]urea?
The InChIKey is CBQXPOPJLACHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-16(2)17-10-9-11-19(14-17)24(3,4)25-23(27)26(5)15-18-12-13-20(28-6)22(30-8)21(18)29-7/h9-14H,1,15H2,2-8H3,(H,25,27).
What are the key properties of 1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1-[(2,3,4-trimethoxyphenyl)methyl]urea?
1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1-[(2,3,4-trimethoxyphenyl)methyl]urea has a molecular weight of 412.53 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1-[(2,3,4-trimethoxyphenyl)methyl]urea is sourced from PubChem (CID 4854199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).