4-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-4-oxobutanamide

C18H20BrNO4 — CID 55587760

IUPAC4-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-4-oxobutanamide
SMILESCOCCN(Cc1ccco1)C(=O)CCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H20BrNO4/c1-23-12-10-20(13-16-3-2-11-24-16)18(22)9-8-17(21)14-4-6-15(19)7-5-14/h2-7,11H,8-10,12-13H2,1H3
InChIKeyMSJFAFRNDDDOBJ-UHFFFAOYSA-N
MW394.27 g/mol
LogP3.68
Rot. Bonds9

About 4-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-4-oxobutanamide

4-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-4-oxobutanamide (PubChem CID 55587760) has the molecular formula C18H20BrNO4 and a molecular weight of 394.27 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-4-oxobutanamide
PubChem CID55587760
Molecular FormulaC18H20BrNO4
Molecular Weight394.27 g/mol
Exact Mass393.06
IUPAC Name4-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-4-oxobutanamide
SMILESCOCCN(Cc1ccco1)C(=O)CCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H20BrNO4/c1-23-12-10-20(13-16-3-2-11-24-16)18(22)9-8-17(21)14-4-6-15(19)7-5-14/h2-7,11H,8-10,12-13H2,1H3
InChIKeyMSJFAFRNDDDOBJ-UHFFFAOYSA-N
XLogP3.68
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide
CID 60567081
5-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolidine-3-carboxamide
CID 74629806
N-[2-[furan-2-ylmethyl(2-methoxyethyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 32992758
4-bromo-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 4015195
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-3-(5-phenylfuran-2-yl)propanamide
CID 55594064
2-[(4-bromophenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4029795
4-(carbamoylamino)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)benzamide
CID 32993957
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42773009
3-(furan-2-yl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 115902257
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 3911576
4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-N-methyl-4-oxobutanamide
CID 112761055
3-[2-methoxyethyl-(4-oxo-4-phenylbutanoyl)amino]propanoic acid
CID 75383603

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-4-oxobutanamide?
The IUPAC name of 4-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-4-oxobutanamide (CID 55587760) is 4-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-4-oxobutanamide is COCCN(Cc1ccco1)C(=O)CCC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-4-oxobutanamide?
The InChIKey is MSJFAFRNDDDOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO4/c1-23-12-10-20(13-16-3-2-11-24-16)18(22)9-8-17(21)14-4-6-15(19)7-5-14/h2-7,11H,8-10,12-13H2,1H3.
What are the key properties of 4-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-4-oxobutanamide?
4-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-4-oxobutanamide has a molecular weight of 394.27 g/mol, XLogP of 3.68, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-4-oxobutanamide is sourced from PubChem (CID 55587760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).