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

C21H28N2O4 — CID 55929778

IUPAC1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
SMILESCOc1ccc(C(C)NC(=O)NCc2cccc(OC(C)C)c2)c(OC)c1
InChIInChI=1S/C21H28N2O4/c1-14(2)27-18-8-6-7-16(11-18)13-22-21(24)23-15(3)19-10-9-17(25-4)12-20(19)26-5/h6-12,14-15H,13H2,1-5H3,(H2,22,23,24)
InChIKeyXDRVPWILZOAOQM-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.05
Rot. Bonds8

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

1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea (PubChem CID 55929778) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
PubChem CID55929778
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
SMILESCOc1ccc(C(C)NC(=O)NCc2cccc(OC(C)C)c2)c(OC)c1
InChIInChI=1S/C21H28N2O4/c1-14(2)27-18-8-6-7-16(11-18)13-22-21(24)23-15(3)19-10-9-17(25-4)12-20(19)26-5/h6-12,14-15H,13H2,1-5H3,(H2,22,23,24)
InChIKeyXDRVPWILZOAOQM-UHFFFAOYSA-N
XLogP4.05
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-(2-chlorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 27517836
1-[1-(4-bromophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 42924542
1-[(1S)-1-(4-bromophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 27517850
(2S)-2-[(3-methoxyphenyl)methylcarbamoylamino]propanoate
CID 7529441
(2S)-2-[(3-methoxyphenyl)methylcarbamoylamino]-3-methylbutanoic acid
CID 947246
1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 94047872
1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea
CID 47216355
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 49467029
methyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate
CID 7640872
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(methoxymethyl)benzamide
CID 134053714
N-[(3-methoxyphenyl)methyl]-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide
CID 125144909
(2S,3R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-3-methylpentanoate
CID 2000260

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea?
The IUPAC name of 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea (CID 55929778) is 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea.
What is the SMILES notation for 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea?
The canonical SMILES for 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea is COc1ccc(C(C)NC(=O)NCc2cccc(OC(C)C)c2)c(OC)c1.
What is the InChIKey of 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea?
The InChIKey is XDRVPWILZOAOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-14(2)27-18-8-6-7-16(11-18)13-22-21(24)23-15(3)19-10-9-17(25-4)12-20(19)26-5/h6-12,14-15H,13H2,1-5H3,(H2,22,23,24).
What are the key properties of 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea?
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea has a molecular weight of 372.47 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea is sourced from PubChem (CID 55929778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).