N-[2-(pentanoylamino)ethyl]furan-2-carboxamide

C12H18N2O3 — CID 33189840

IUPACN-[2-(pentanoylamino)ethyl]furan-2-carboxamide
SMILESCCCCC(=O)NCCNC(=O)c1ccco1
InChIInChI=1S/C12H18N2O3/c1-2-3-6-11(15)13-7-8-14-12(16)10-5-4-9-17-10/h4-5,9H,2-3,6-8H2,1H3,(H,13,15)(H,14,16)
InChIKeyYTOLJZPDKCNJIY-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.32
Rot. Bonds7

About N-[2-(pentanoylamino)ethyl]furan-2-carboxamide

N-[2-(pentanoylamino)ethyl]furan-2-carboxamide (PubChem CID 33189840) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[2-(pentanoylamino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(pentanoylamino)ethyl]furan-2-carboxamide
PubChem CID33189840
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-[2-(pentanoylamino)ethyl]furan-2-carboxamide
SMILESCCCCC(=O)NCCNC(=O)c1ccco1
InChIInChI=1S/C12H18N2O3/c1-2-3-6-11(15)13-7-8-14-12(16)10-5-4-9-17-10/h4-5,9H,2-3,6-8H2,1H3,(H,13,15)(H,14,16)
InChIKeyYTOLJZPDKCNJIY-UHFFFAOYSA-N
XLogP1.32
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-chloropropanoylamino)ethyl]furan-2-carboxamide
CID 108571149
N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119278257
N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
CID 108571159
N-butyl-4-(furan-2-yl)-4-oxobutanamide
CID 110389809
N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]furan-2-carboxamide
CID 43049335
N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide
CID 40605624
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide
CID 115612648
3-[4-(furan-2-carbonylamino)butanoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66172562
N-[3-(ethylamino)propyl]furan-2-carboxamide
CID 43601657
ethyl 2-[4-(furan-2-carbonylamino)butanoylamino]propanoate
CID 61343133
N-[2-[(N'-methyl-N-propylcarbamimidoyl)amino]ethyl]furan-2-carboxamide
CID 111225967

Frequently Asked Questions

What is the IUPAC name of N-[2-(pentanoylamino)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(pentanoylamino)ethyl]furan-2-carboxamide (CID 33189840) is N-[2-(pentanoylamino)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(pentanoylamino)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(pentanoylamino)ethyl]furan-2-carboxamide is CCCCC(=O)NCCNC(=O)c1ccco1.
What is the InChIKey of N-[2-(pentanoylamino)ethyl]furan-2-carboxamide?
The InChIKey is YTOLJZPDKCNJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-3-6-11(15)13-7-8-14-12(16)10-5-4-9-17-10/h4-5,9H,2-3,6-8H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-[2-(pentanoylamino)ethyl]furan-2-carboxamide?
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pentanoylamino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 33189840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).