4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbutanamide;hydrochloride

C11H18Cl2N2O2 — CID 115595769

IUPAC4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbutanamide;hydrochloride
SMILESCN(C)C(=O)CCCNCc1ccc(Cl)o1.Cl
InChIInChI=1S/C11H17ClN2O2.ClH/c1-14(2)11(15)4-3-7-13-8-9-5-6-10(12)16-9;/h5-6,13H,3-4,7-8H2,1-2H3;1H
InChIKeyWCQIXNMHQOMXJE-UHFFFAOYSA-N
MW281.18 g/mol
LogP2.31
Rot. Bonds6

About 4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbutanamide;hydrochloride

4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbutanamide;hydrochloride (PubChem CID 115595769) has the molecular formula C11H18Cl2N2O2 and a molecular weight of 281.18 g/mol. Its IUPAC name is 4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbutanamide;hydrochloride
PubChem CID115595769
Molecular FormulaC11H18Cl2N2O2
Molecular Weight281.18 g/mol
Exact Mass280.07
IUPAC Name4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbutanamide;hydrochloride
SMILESCN(C)C(=O)CCCNCc1ccc(Cl)o1.Cl
InChIInChI=1S/C11H17ClN2O2.ClH/c1-14(2)11(15)4-3-7-13-8-9-5-6-10(12)16-9;/h5-6,13H,3-4,7-8H2,1-2H3;1H
InChIKeyWCQIXNMHQOMXJE-UHFFFAOYSA-N
XLogP2.31
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(5-chlorofuran-2-yl)methylamino]butanoate
CID 60696105
4-[(4-chlorophenyl)methylamino]-N,N-dimethylbutanamide
CID 54941099
4-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylamino]-N,N-dimethylbutanamide
CID 119108321
3-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylpropanamide
CID 60926484
N-[(5-chlorofuran-2-yl)methyl]-4-ethoxybutan-1-amine;hydrochloride
CID 115584528
5-[(5-chlorofuran-2-yl)methylamino]pentan-2-ol
CID 107267883
N-[(5-chlorofuran-2-yl)methyl]-3-methoxypropan-1-amine
CID 60662772
N-[(5-chlorofuran-2-yl)methyl]pent-4-yn-1-amine
CID 103701651
2-[(5-chlorofuran-2-yl)methylamino]acetic acid
CID 60769646
2-[3-[(5-chlorofuran-2-yl)methylamino]propoxy]ethanol
CID 103992501
3-butoxy-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 115572603
2-chloro-N-[(5-chlorofuran-2-yl)methyl]acetamide
CID 131182868

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbutanamide;hydrochloride?
The IUPAC name of 4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbutanamide;hydrochloride (CID 115595769) is 4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbutanamide;hydrochloride.
What is the SMILES notation for 4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbutanamide;hydrochloride?
The canonical SMILES for 4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbutanamide;hydrochloride is CN(C)C(=O)CCCNCc1ccc(Cl)o1.Cl.
What is the InChIKey of 4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbutanamide;hydrochloride?
The InChIKey is WCQIXNMHQOMXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2.ClH/c1-14(2)11(15)4-3-7-13-8-9-5-6-10(12)16-9;/h5-6,13H,3-4,7-8H2,1-2H3;1H.
What are the key properties of 4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbutanamide;hydrochloride?
4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbutanamide;hydrochloride has a molecular weight of 281.18 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 115595769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).