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

C20H26N2O5 — CID 38157430

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
SMILESCOc1ccc(CCNC(=O)NCc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C20H26N2O5/c1-24-16-7-5-14(11-18(16)26-3)9-10-21-20(23)22-13-15-6-8-17(25-2)19(12-15)27-4/h5-8,11-12H,9-10,13H2,1-4H3,(H2,21,22,23)
InChIKeyHAXAMHMVTGNFBG-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.76
Rot. Bonds9

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

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea (PubChem CID 38157430) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
PubChem CID38157430
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
SMILESCOc1ccc(CCNC(=O)NCc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C20H26N2O5/c1-24-16-7-5-14(11-18(16)26-3)9-10-21-20(23)22-13-15-6-8-17(25-2)19(12-15)27-4/h5-8,11-12H,9-10,13H2,1-4H3,(H2,21,22,23)
InChIKeyHAXAMHMVTGNFBG-UHFFFAOYSA-N
XLogP2.76
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 108891449
methyl 4-[[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]methyl]benzoate
CID 55473296
4-[[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]methyl]benzoic acid
CID 108891353
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38210357
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453
1-[2-(4-bromophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891454
1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)ethyl]urea
CID 108896807
1-[2-(2,4-dichlorophenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108989707
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea
CID 108891349
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-[(3-methylphenyl)methyl]urea
CID 3705348
1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(methanesulfonamido)ethyl]urea
CID 38208936

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea (CID 38157430) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea is COc1ccc(CCNC(=O)NCc2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea?
The InChIKey is HAXAMHMVTGNFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-24-16-7-5-14(11-18(16)26-3)9-10-21-20(23)22-13-15-6-8-17(25-2)19(12-15)27-4/h5-8,11-12H,9-10,13H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea?
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea has a molecular weight of 374.44 g/mol, XLogP of 2.76, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea is sourced from PubChem (CID 38157430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).