N-(3-methylbutyl)furan-2-carboxamide

C10H15NO2 — CID 2787046

IUPACN-(3-methylbutyl)furan-2-carboxamide
SMILESCC(C)CCNC(=O)c1ccco1
InChIInChI=1S/C10H15NO2/c1-8(2)5-6-11-10(12)9-4-3-7-13-9/h3-4,7-8H,5-6H2,1-2H3,(H,11,12)
InChIKeySXMDNBVBCUXKHP-UHFFFAOYSA-N
MW181.24 g/mol
LogP2.06
Rot. Bonds4

About N-(3-methylbutyl)furan-2-carboxamide

N-(3-methylbutyl)furan-2-carboxamide (PubChem CID 2787046) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is N-(3-methylbutyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)furan-2-carboxamide
PubChem CID2787046
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC NameN-(3-methylbutyl)furan-2-carboxamide
SMILESCC(C)CCNC(=O)c1ccco1
InChIInChI=1S/C10H15NO2/c1-8(2)5-6-11-10(12)9-4-3-7-13-9/h3-4,7-8H,5-6H2,1-2H3,(H,11,12)
InChIKeySXMDNBVBCUXKHP-UHFFFAOYSA-N
XLogP2.06
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-Furoyl)Glycine
CID 21863
1-(2-Furoyl)piperazine
CID 550206
4-(Furan-2-carbonyl)piperazine-1-carboxamide
CID 762331
4-Acetyl 1-(2-furoyl)piperazine
CID 565340
N-(2-Furylmethyl)benzamide
CID 236716
[(Furan-2-yl)methyl]urea
CID 587724
n-(2-Furylmethyl)-2-phenoxyacetamide
CID 240163
N-(2-Furoyl)glycine methyl ester
CID 518748
N-Methylfurfurylamine
CID 78492
N,N,N-Trimethyl-2-furanmethanaminium
CID 10938
2-furoyl-LIGRLO-amide
CID 10395438
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 11475093

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)furan-2-carboxamide?
The IUPAC name of N-(3-methylbutyl)furan-2-carboxamide (CID 2787046) is N-(3-methylbutyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)furan-2-carboxamide?
The canonical SMILES for N-(3-methylbutyl)furan-2-carboxamide is CC(C)CCNC(=O)c1ccco1.
What is the InChIKey of N-(3-methylbutyl)furan-2-carboxamide?
The InChIKey is SXMDNBVBCUXKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8(2)5-6-11-10(12)9-4-3-7-13-9/h3-4,7-8H,5-6H2,1-2H3,(H,11,12).
What are the key properties of N-(3-methylbutyl)furan-2-carboxamide?
N-(3-methylbutyl)furan-2-carboxamide has a molecular weight of 181.24 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)furan-2-carboxamide is sourced from PubChem (CID 2787046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).