1-[1-(3,4-diethoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea

C20H26N2O4 — CID 133204349

IUPAC1-[1-(3,4-diethoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea
SMILESCCOc1ccc(C(C)NC(=O)Nc2ccccc2OC)cc1OCC
InChIInChI=1S/C20H26N2O4/c1-5-25-18-12-11-15(13-19(18)26-6-2)14(3)21-20(23)22-16-9-7-8-10-17(16)24-4/h7-14H,5-6H2,1-4H3,(H2,21,22,23)
InChIKeyOICTYJCQQKQPHW-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.38
Rot. Bonds8

About 1-[1-(3,4-diethoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea

1-[1-(3,4-diethoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea (PubChem CID 133204349) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[1-(3,4-diethoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-(3,4-diethoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea
PubChem CID133204349
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name1-[1-(3,4-diethoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea
SMILESCCOc1ccc(C(C)NC(=O)Nc2ccccc2OC)cc1OCC
InChIInChI=1S/C20H26N2O4/c1-5-25-18-12-11-15(13-19(18)26-6-2)14(3)21-20(23)22-16-9-7-8-10-17(16)24-4/h7-14H,5-6H2,1-4H3,(H2,21,22,23)
InChIKeyOICTYJCQQKQPHW-UHFFFAOYSA-N
XLogP4.38
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethoxyphenyl)oxamide
CID 108510172
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46415728
1-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 27869518
1-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 51168567
1-butan-2-yl-3-(2-methoxyphenyl)urea
CID 19167871
1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(2-methoxyphenyl)urea
CID 39972995
1-(2-methoxyphenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108866531
(2R)-2-chloro-N-[2-[[(1S)-1-(4-ethoxy-3-methoxyphenyl)ethyl]carbamoylamino]ethyl]propanamide
CID 124885683
(2S)-2-chloro-N-[2-[[(1S)-1-(4-ethoxy-3-methoxyphenyl)ethyl]carbamoylamino]ethyl]propanamide
CID 124885687
1-(2-ethoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 86987230
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
1-[(3,4-diethoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
CID 100747631

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-diethoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[1-(3,4-diethoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea (CID 133204349) is 1-[1-(3,4-diethoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[1-(3,4-diethoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[1-(3,4-diethoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea is CCOc1ccc(C(C)NC(=O)Nc2ccccc2OC)cc1OCC.
What is the InChIKey of 1-[1-(3,4-diethoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea?
The InChIKey is OICTYJCQQKQPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-5-25-18-12-11-15(13-19(18)26-6-2)14(3)21-20(23)22-16-9-7-8-10-17(16)24-4/h7-14H,5-6H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-[1-(3,4-diethoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea?
1-[1-(3,4-diethoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea has a molecular weight of 358.44 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-diethoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 133204349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).