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

C16H19NO2 — CID 35072143

IUPACN-(3-methylbutyl)-3-phenylfuran-2-carboxamide
SMILESCC(C)CCNC(=O)c1occc1-c1ccccc1
InChIInChI=1S/C16H19NO2/c1-12(2)8-10-17-16(18)15-14(9-11-19-15)13-6-4-3-5-7-13/h3-7,9,11-12H,8,10H2,1-2H3,(H,17,18)
InChIKeyIPZNMSGLVKOUMM-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.72
Rot. Bonds5

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

N-(3-methylbutyl)-3-phenylfuran-2-carboxamide (PubChem CID 35072143) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-phenylfuran-2-carboxamide
PubChem CID35072143
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-(3-methylbutyl)-3-phenylfuran-2-carboxamide
SMILESCC(C)CCNC(=O)c1occc1-c1ccccc1
InChIInChI=1S/C16H19NO2/c1-12(2)8-10-17-16(18)15-14(9-11-19-15)13-6-4-3-5-7-13/h3-7,9,11-12H,8,10H2,1-2H3,(H,17,18)
InChIKeyIPZNMSGLVKOUMM-UHFFFAOYSA-N
XLogP3.72
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxypentyl)-3-phenylfuran-2-carboxamide
CID 115703850
(2S)-2-hydroxy-3-[(3-phenylfuran-2-carbonyl)amino]propanoic acid
CID 107832817
(2S)-4-methyl-2-[[2-[(3-phenylfuran-2-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695237
N-(2-hydroxy-2-methylbutyl)-3-phenylfuran-2-carboxamide
CID 65114924
N-(1-hydroxypentan-3-yl)-3-phenylfuran-2-carboxamide
CID 109479214
(2S)-3-hydroxy-2-[(3-phenylfuran-2-carbonyl)amino]propanoic acid
CID 61152901
2-[(3-phenylfuran-2-carbonyl)amino]oxyacetic acid
CID 63914694
N-(1-cyclopropylethyl)-3-phenylfuran-2-carboxamide
CID 47012609
3-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide
CID 43045643
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-phenylfuran-2-carboxamide
CID 110885536
3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide
CID 30885160
3-phenyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 37392558

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-phenylfuran-2-carboxamide?
The IUPAC name of N-(3-methylbutyl)-3-phenylfuran-2-carboxamide (CID 35072143) is N-(3-methylbutyl)-3-phenylfuran-2-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-3-phenylfuran-2-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-3-phenylfuran-2-carboxamide is CC(C)CCNC(=O)c1occc1-c1ccccc1.
What is the InChIKey of N-(3-methylbutyl)-3-phenylfuran-2-carboxamide?
The InChIKey is IPZNMSGLVKOUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12(2)8-10-17-16(18)15-14(9-11-19-15)13-6-4-3-5-7-13/h3-7,9,11-12H,8,10H2,1-2H3,(H,17,18).
What are the key properties of N-(3-methylbutyl)-3-phenylfuran-2-carboxamide?
N-(3-methylbutyl)-3-phenylfuran-2-carboxamide has a molecular weight of 257.33 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-phenylfuran-2-carboxamide is sourced from PubChem (CID 35072143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).