1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea

C15H22N2O3 — CID 108910581

IUPAC1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea
SMILESCC/C=C/NC(=O)NC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H22N2O3/c1-5-6-9-16-15(18)17-11(2)12-7-8-13(19-3)14(10-12)20-4/h6-11H,5H2,1-4H3,(H2,16,17,18)/b9-6+
InChIKeyBARGZPOFGAYOLW-RMKNXTFCSA-N
MW278.35 g/mol
LogP2.99
Rot. Bonds6

About 1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea

1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea (PubChem CID 108910581) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea
PubChem CID108910581
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea
SMILESCC/C=C/NC(=O)NC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H22N2O3/c1-5-6-9-16-15(18)17-11(2)12-7-8-13(19-3)14(10-12)20-4/h6-11H,5H2,1-4H3,(H2,16,17,18)/b9-6+
InChIKeyBARGZPOFGAYOLW-RMKNXTFCSA-N
XLogP2.99
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 17329435
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea
CID 108913137
1-[3-[(E)-but-1-enoxy]-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea
CID 71459465
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
CID 61166177
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(2-methoxyphenoxy)methyl]urea
CID 108892136
4-[1-(3,4-dimethoxyphenyl)ethylamino]-4-oxobut-2-enoic acid
CID 61172423
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide
CID 108504806
2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbutanamide
CID 79805617
1-ethyl-3-[(1R)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]urea
CID 94192184
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
CID 108507825
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxypropyl)oxamide
CID 108510076
6-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 61166957

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea (CID 108910581) is 1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea is CC/C=C/NC(=O)NC(C)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea?
The InChIKey is BARGZPOFGAYOLW-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-5-6-9-16-15(18)17-11(2)12-7-8-13(19-3)14(10-12)20-4/h6-11H,5H2,1-4H3,(H2,16,17,18)/b9-6+.
What are the key properties of 1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea?
1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea has a molecular weight of 278.35 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 108910581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).