1-(4-acetylphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea

C21H26N2O4 — CID 113213810

IUPAC1-(4-acetylphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea
SMILESCOc1ccc(C(C)(C)CNC(=O)Nc2ccc(C(C)=O)cc2)cc1OC
InChIInChI=1S/C21H26N2O4/c1-14(24)15-6-9-17(10-7-15)23-20(25)22-13-21(2,3)16-8-11-18(26-4)19(12-16)27-5/h6-12H,13H2,1-5H3,(H2,22,23,25)
InChIKeyLRGDUJISWAOQOG-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.01
Rot. Bonds7

About 1-(4-acetylphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea

1-(4-acetylphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea (PubChem CID 113213810) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea
PubChem CID113213810
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name1-(4-acetylphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea
SMILESCOc1ccc(C(C)(C)CNC(=O)Nc2ccc(C(C)=O)cc2)cc1OC
InChIInChI=1S/C21H26N2O4/c1-14(24)15-6-9-17(10-7-15)23-20(25)22-13-21(2,3)16-8-11-18(26-4)19(12-16)27-5/h6-12H,13H2,1-5H3,(H2,22,23,25)
InChIKeyLRGDUJISWAOQOG-UHFFFAOYSA-N
XLogP4.01
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]carbamoylamino]benzoate
CID 113213815
1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea
CID 113213805
1-(2-cyanophenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea
CID 113213830
1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(2-ethoxyphenyl)urea
CID 113213798
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3,4-difluorobenzamide
CID 110445671
1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea
CID 108866246
1-(4-acetylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217327
methyl 2-[(4-acetylphenyl)carbamoylamino]acetate
CID 39733012
1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213625
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
3,4-dimethoxy-N-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]benzamide
CID 67546361
1-(4-ethoxyphenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213639

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea (CID 113213810) is 1-(4-acetylphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea is COc1ccc(C(C)(C)CNC(=O)Nc2ccc(C(C)=O)cc2)cc1OC.
What is the InChIKey of 1-(4-acetylphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea?
The InChIKey is LRGDUJISWAOQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14(24)15-6-9-17(10-7-15)23-20(25)22-13-21(2,3)16-8-11-18(26-4)19(12-16)27-5/h6-12H,13H2,1-5H3,(H2,22,23,25).
What are the key properties of 1-(4-acetylphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea?
1-(4-acetylphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea has a molecular weight of 370.45 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea is sourced from PubChem (CID 113213810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).