3-tert-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]urea

C23H32N2O4 — CID 42695299

IUPAC3-tert-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CN(CCc1ccc(OC)c(OC)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C23H32N2O4/c1-23(2,3)24-22(26)25(16-18-9-7-8-10-19(18)27-4)14-13-17-11-12-20(28-5)21(15-17)29-6/h7-12,15H,13-14,16H2,1-6H3,(H,24,26)
InChIKeyZOLFMTDDHOQINP-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.27
Rot. Bonds8

About 3-tert-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]urea

3-tert-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]urea (PubChem CID 42695299) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is 3-tert-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name3-tert-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]urea
PubChem CID42695299
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC Name3-tert-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CN(CCc1ccc(OC)c(OC)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C23H32N2O4/c1-23(2,3)24-22(26)25(16-18-9-7-8-10-19(18)27-4)14-13-17-11-12-20(28-5)21(15-17)29-6/h7-12,15H,13-14,16H2,1-6H3,(H,24,26)
InChIKeyZOLFMTDDHOQINP-UHFFFAOYSA-N
XLogP4.27
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-(3-methylphenyl)urea
CID 42695524
1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 3881142
1-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylphenyl)urea
CID 42723895
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 4562686
2-[tert-butylcarbamoyl(propan-2-yl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 4556189
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,6-dimethylphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 42708372
2-[tert-butylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide
CID 3340944
N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethylacetamide
CID 30471741
1-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,6-dimethylphenyl)urea
CID 42723892
2-[butan-2-yl(tert-butylcarbamoyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4273304
2-[tert-butylcarbamoyl(oxolan-2-ylmethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 3430924
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 3120473

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]urea?
The IUPAC name of 3-tert-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]urea (CID 42695299) is 3-tert-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]urea.
What is the SMILES notation for 3-tert-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]urea?
The canonical SMILES for 3-tert-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]urea is COc1ccccc1CN(CCc1ccc(OC)c(OC)c1)C(=O)NC(C)(C)C.
What is the InChIKey of 3-tert-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]urea?
The InChIKey is ZOLFMTDDHOQINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-23(2,3)24-22(26)25(16-18-9-7-8-10-19(18)27-4)14-13-17-11-12-20(28-5)21(15-17)29-6/h7-12,15H,13-14,16H2,1-6H3,(H,24,26).
What are the key properties of 3-tert-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]urea?
3-tert-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]urea has a molecular weight of 400.52 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 42695299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).