N-[3-(2-bromoethoxy)propyl]-3-methylfuran-2-carboxamide

C11H16BrNO3 — CID 106307161

IUPACN-[3-(2-bromoethoxy)propyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCCCOCCBr
InChIInChI=1S/C11H16BrNO3/c1-9-3-7-16-10(9)11(14)13-5-2-6-15-8-4-12/h3,7H,2,4-6,8H2,1H3,(H,13,14)
InChIKeyYBGDBQNQNLFNRC-UHFFFAOYSA-N
MW290.16 g/mol
LogP2.12
Rot. Bonds7

About N-[3-(2-bromoethoxy)propyl]-3-methylfuran-2-carboxamide

N-[3-(2-bromoethoxy)propyl]-3-methylfuran-2-carboxamide (PubChem CID 106307161) has the molecular formula C11H16BrNO3 and a molecular weight of 290.16 g/mol. Its IUPAC name is N-[3-(2-bromoethoxy)propyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-bromoethoxy)propyl]-3-methylfuran-2-carboxamide
PubChem CID106307161
Molecular FormulaC11H16BrNO3
Molecular Weight290.16 g/mol
Exact Mass289.03
IUPAC NameN-[3-(2-bromoethoxy)propyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCCCOCCBr
InChIInChI=1S/C11H16BrNO3/c1-9-3-7-16-10(9)11(14)13-5-2-6-15-8-4-12/h3,7H,2,4-6,8H2,1H3,(H,13,14)
InChIKeyYBGDBQNQNLFNRC-UHFFFAOYSA-N
XLogP2.12
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromobutyl)-3-methylfuran-2-carboxamide
CID 106845761
N-[3-(2-bromoethoxy)propyl]-2-ethylfuran-3-carboxamide
CID 106307543
N-(4-aminobutyl)-3-methylfuran-2-carboxamide
CID 60895762
N-[3-(2-bromoethoxy)propyl]furan-2-carboxamide
CID 106307618
2-[(3-methylfuran-2-carbonyl)amino]ethyl carbamate
CID 75483650
N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 119798351
N-(3-bromo-4-methoxybutyl)-3-methylfuran-2-carboxamide
CID 106244866
N-[3-[[ethylamino-(3-methoxypropylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide
CID 111770954
N-[3-(2-bromoethoxy)propyl]-2-(4-methylphenyl)acetamide
CID 106307754
N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide
CID 120501390
N-[3-[(2-amino-2-methylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 119331995
3-methyl-N-[3-[(N'-methylcarbamimidoyl)amino]propyl]furan-2-carboxamide;hydroiodide
CID 111439289

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromoethoxy)propyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[3-(2-bromoethoxy)propyl]-3-methylfuran-2-carboxamide (CID 106307161) is N-[3-(2-bromoethoxy)propyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[3-(2-bromoethoxy)propyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[3-(2-bromoethoxy)propyl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NCCCOCCBr.
What is the InChIKey of N-[3-(2-bromoethoxy)propyl]-3-methylfuran-2-carboxamide?
The InChIKey is YBGDBQNQNLFNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3/c1-9-3-7-16-10(9)11(14)13-5-2-6-15-8-4-12/h3,7H,2,4-6,8H2,1H3,(H,13,14).
What are the key properties of N-[3-(2-bromoethoxy)propyl]-3-methylfuran-2-carboxamide?
N-[3-(2-bromoethoxy)propyl]-3-methylfuran-2-carboxamide has a molecular weight of 290.16 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromoethoxy)propyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 106307161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).