N-[2-(butylamino)-2-oxoethyl]-N,2-dimethylfuran-3-carboxamide

C13H20N2O3 — CID 56758649

IUPACN-[2-(butylamino)-2-oxoethyl]-N,2-dimethylfuran-3-carboxamide
SMILESCCCCNC(=O)CN(C)C(=O)c1ccoc1C
InChIInChI=1S/C13H20N2O3/c1-4-5-7-14-12(16)9-15(3)13(17)11-6-8-18-10(11)2/h6,8H,4-5,7,9H2,1-3H3,(H,14,16)
InChIKeyHKYSNJFUTHFBSM-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.58
Rot. Bonds6

About N-[2-(butylamino)-2-oxoethyl]-N,2-dimethylfuran-3-carboxamide

N-[2-(butylamino)-2-oxoethyl]-N,2-dimethylfuran-3-carboxamide (PubChem CID 56758649) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-[2-(butylamino)-2-oxoethyl]-N,2-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(butylamino)-2-oxoethyl]-N,2-dimethylfuran-3-carboxamide
PubChem CID56758649
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-[2-(butylamino)-2-oxoethyl]-N,2-dimethylfuran-3-carboxamide
SMILESCCCCNC(=O)CN(C)C(=O)c1ccoc1C
InChIInChI=1S/C13H20N2O3/c1-4-5-7-14-12(16)9-15(3)13(17)11-6-8-18-10(11)2/h6,8H,4-5,7,9H2,1-3H3,(H,14,16)
InChIKeyHKYSNJFUTHFBSM-UHFFFAOYSA-N
XLogP1.58
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.58
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

2-methyl-N-pentylfuran-3-carboxamide
CID 4127379
N-[3-(hexylamino)-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide
CID 42779801
3-[methyl-(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 60989961
N-(5-hydroxypentyl)-N,2-dimethylfuran-3-carboxamide
CID 107202593
2-methyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide
CID 35352937
N-(5-chloropentyl)-N,2-dimethylfuran-3-carboxamide
CID 107205486
N-(2-aminopropyl)-N,2-dimethylfuran-3-carboxamide
CID 63755935
N,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]furan-3-carboxamide
CID 9188659
2-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylfuran-3-carboxamide
CID 106853533
N-butyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
CID 82064564
N-methyl-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 43047860
N-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 78791395

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylamino)-2-oxoethyl]-N,2-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-(butylamino)-2-oxoethyl]-N,2-dimethylfuran-3-carboxamide (CID 56758649) is N-[2-(butylamino)-2-oxoethyl]-N,2-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(butylamino)-2-oxoethyl]-N,2-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-(butylamino)-2-oxoethyl]-N,2-dimethylfuran-3-carboxamide is CCCCNC(=O)CN(C)C(=O)c1ccoc1C.
What is the InChIKey of N-[2-(butylamino)-2-oxoethyl]-N,2-dimethylfuran-3-carboxamide?
The InChIKey is HKYSNJFUTHFBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-5-7-14-12(16)9-15(3)13(17)11-6-8-18-10(11)2/h6,8H,4-5,7,9H2,1-3H3,(H,14,16).
What are the key properties of N-[2-(butylamino)-2-oxoethyl]-N,2-dimethylfuran-3-carboxamide?
N-[2-(butylamino)-2-oxoethyl]-N,2-dimethylfuran-3-carboxamide has a molecular weight of 252.31 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylamino)-2-oxoethyl]-N,2-dimethylfuran-3-carboxamide is sourced from PubChem (CID 56758649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).