5-bromo-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide

C12H17BrN2O4 — CID 51307832

IUPAC5-bromo-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCOCCCNC(=O)CN(C)C(=O)c1ccc(Br)o1
InChIInChI=1S/C12H17BrN2O4/c1-15(8-11(16)14-6-3-7-18-2)12(17)9-4-5-10(13)19-9/h4-5H,3,6-8H2,1-2H3,(H,14,16)
InChIKeyVFZWDJFYKZESJQ-UHFFFAOYSA-N
MW333.18 g/mol
LogP1.27
Rot. Bonds7

About 5-bromo-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide

5-bromo-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide (PubChem CID 51307832) has the molecular formula C12H17BrN2O4 and a molecular weight of 333.18 g/mol. Its IUPAC name is 5-bromo-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
PubChem CID51307832
Molecular FormulaC12H17BrN2O4
Molecular Weight333.18 g/mol
Exact Mass332.04
IUPAC Name5-bromo-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCOCCCNC(=O)CN(C)C(=O)c1ccc(Br)o1
InChIInChI=1S/C12H17BrN2O4/c1-15(8-11(16)14-6-3-7-18-2)12(17)9-4-5-10(13)19-9/h4-5H,3,6-8H2,1-2H3,(H,14,16)
InChIKeyVFZWDJFYKZESJQ-UHFFFAOYSA-N
XLogP1.27
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.18
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-bromo-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 60953453
2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 47006314
3-[[2-[(5-bromofuran-2-carbonyl)-methylamino]acetyl]amino]-2-methylpropanoic acid
CID 119236875
4-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51098419
2-(4-methoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylacetamide
CID 51307828
3-bromo-2-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 106547925
3-bromo-4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 103841802
2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51307796
5-bromo-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 51554035
4-bromo-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide
CID 60956041
5-bromo-N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]furan-2-carboxamide
CID 119555101
N-[2-[(2-amino-2-phenylethyl)amino]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide
CID 119527431

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide (CID 51307832) is 5-bromo-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide is COCCCNC(=O)CN(C)C(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
The InChIKey is VFZWDJFYKZESJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O4/c1-15(8-11(16)14-6-3-7-18-2)12(17)9-4-5-10(13)19-9/h4-5H,3,6-8H2,1-2H3,(H,14,16).
What are the key properties of 5-bromo-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
5-bromo-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide has a molecular weight of 333.18 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 51307832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).