2,5-dimethyl-N-[3-(pentanoylamino)phenyl]furan-3-carboxamide

C18H22N2O3 — CID 12040666

IUPAC2,5-dimethyl-N-[3-(pentanoylamino)phenyl]furan-3-carboxamide
SMILESCCCCC(=O)Nc1cccc(NC(=O)c2cc(C)oc2C)c1
InChIInChI=1S/C18H22N2O3/c1-4-5-9-17(21)19-14-7-6-8-15(11-14)20-18(22)16-10-12(2)23-13(16)3/h6-8,10-11H,4-5,9H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyQZCKTVHQMUUAKO-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.28
Rot. Bonds6

About 2,5-dimethyl-N-[3-(pentanoylamino)phenyl]furan-3-carboxamide

2,5-dimethyl-N-[3-(pentanoylamino)phenyl]furan-3-carboxamide (PubChem CID 12040666) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-(pentanoylamino)phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[3-(pentanoylamino)phenyl]furan-3-carboxamide
PubChem CID12040666
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name2,5-dimethyl-N-[3-(pentanoylamino)phenyl]furan-3-carboxamide
SMILESCCCCC(=O)Nc1cccc(NC(=O)c2cc(C)oc2C)c1
InChIInChI=1S/C18H22N2O3/c1-4-5-9-17(21)19-14-7-6-8-15(11-14)20-18(22)16-10-12(2)23-13(16)3/h6-8,10-11H,4-5,9H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyQZCKTVHQMUUAKO-UHFFFAOYSA-N
XLogP4.28
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-2,5-dimethylfuran-3-carboxamide
CID 4057606
2,5-dimethyl-N-[3-(propylaminomethyl)phenyl]furan-3-carboxamide
CID 106910635
2,6-dimethoxy-N-[3-(pentanoylamino)phenyl]benzamide
CID 21229671
N-[3-(phenylcarbamoylamino)phenyl]pentanamide
CID 51326660
N-(hexan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide
CID 5149450
N-[2-[3-(butanoylamino)-2-methylanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 47932061
N-[3-(hexanoylamino)phenyl]-4-propoxybenzamide
CID 26161290
N-[3-(2-aminoethoxy)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 43175539
tert-butyl N-[2-oxo-2-[3-(pentanoylamino)anilino]ethyl]carbamate
CID 108917175
4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide
CID 26161284
N-[3-[(2-bromoacetyl)amino]phenyl]hexanamide
CID 46736711
N-[3-(pentanoylcarbamothioylamino)phenyl]hexanamide
CID 26161880

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-(pentanoylamino)phenyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[3-(pentanoylamino)phenyl]furan-3-carboxamide (CID 12040666) is 2,5-dimethyl-N-[3-(pentanoylamino)phenyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[3-(pentanoylamino)phenyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[3-(pentanoylamino)phenyl]furan-3-carboxamide is CCCCC(=O)Nc1cccc(NC(=O)c2cc(C)oc2C)c1.
What is the InChIKey of 2,5-dimethyl-N-[3-(pentanoylamino)phenyl]furan-3-carboxamide?
The InChIKey is QZCKTVHQMUUAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-4-5-9-17(21)19-14-7-6-8-15(11-14)20-18(22)16-10-12(2)23-13(16)3/h6-8,10-11H,4-5,9H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 2,5-dimethyl-N-[3-(pentanoylamino)phenyl]furan-3-carboxamide?
2,5-dimethyl-N-[3-(pentanoylamino)phenyl]furan-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[3-(pentanoylamino)phenyl]furan-3-carboxamide is sourced from PubChem (CID 12040666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).