N-[4-(butanoylamino)-2-methoxyphenyl]furan-2-carboxamide

C16H18N2O4 — CID 654343

IUPACN-[4-(butanoylamino)-2-methoxyphenyl]furan-2-carboxamide
SMILESCCCC(=O)Nc1ccc(NC(=O)c2ccco2)c(OC)c1
InChIInChI=1S/C16H18N2O4/c1-3-5-15(19)17-11-7-8-12(14(10-11)21-2)18-16(20)13-6-4-9-22-13/h4,6-10H,3,5H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyKBHOSJBPWQSKTK-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.28
Rot. Bonds6

About N-[4-(butanoylamino)-2-methoxyphenyl]furan-2-carboxamide

N-[4-(butanoylamino)-2-methoxyphenyl]furan-2-carboxamide (PubChem CID 654343) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[4-(butanoylamino)-2-methoxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(butanoylamino)-2-methoxyphenyl]furan-2-carboxamide
PubChem CID654343
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC NameN-[4-(butanoylamino)-2-methoxyphenyl]furan-2-carboxamide
SMILESCCCC(=O)Nc1ccc(NC(=O)c2ccco2)c(OC)c1
InChIInChI=1S/C16H18N2O4/c1-3-5-15(19)17-11-7-8-12(14(10-11)21-2)18-16(20)13-6-4-9-22-13/h4,6-10H,3,5H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyKBHOSJBPWQSKTK-UHFFFAOYSA-N
XLogP3.28
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(butanoylamino)-2-methoxyphenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(butanoylamino)-2-methoxyphenyl]furan-2-carboxamide (CID 654343) is N-[4-(butanoylamino)-2-methoxyphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(butanoylamino)-2-methoxyphenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(butanoylamino)-2-methoxyphenyl]furan-2-carboxamide is CCCC(=O)Nc1ccc(NC(=O)c2ccco2)c(OC)c1.
What is the InChIKey of N-[4-(butanoylamino)-2-methoxyphenyl]furan-2-carboxamide?
The InChIKey is KBHOSJBPWQSKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-3-5-15(19)17-11-7-8-12(14(10-11)21-2)18-16(20)13-6-4-9-22-13/h4,6-10H,3,5H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[4-(butanoylamino)-2-methoxyphenyl]furan-2-carboxamide?
N-[4-(butanoylamino)-2-methoxyphenyl]furan-2-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butanoylamino)-2-methoxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 654343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).