N-(3-anilino-3-oxopropyl)furan-2-carboxamide

C14H14N2O3 — CID 4817014

IUPACN-(3-anilino-3-oxopropyl)furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)Nc1ccccc1
InChIInChI=1S/C14H14N2O3/c17-13(16-11-5-2-1-3-6-11)8-9-15-14(18)12-7-4-10-19-12/h1-7,10H,8-9H2,(H,15,18)(H,16,17)
InChIKeyWXINCNROACXSIP-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.04
Rot. Bonds5

About N-(3-anilino-3-oxopropyl)furan-2-carboxamide

N-(3-anilino-3-oxopropyl)furan-2-carboxamide (PubChem CID 4817014) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(3-anilino-3-oxopropyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-anilino-3-oxopropyl)furan-2-carboxamide
PubChem CID4817014
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN-(3-anilino-3-oxopropyl)furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)Nc1ccccc1
InChIInChI=1S/C14H14N2O3/c17-13(16-11-5-2-1-3-6-11)8-9-15-14(18)12-7-4-10-19-12/h1-7,10H,8-9H2,(H,15,18)(H,16,17)
InChIKeyWXINCNROACXSIP-UHFFFAOYSA-N
XLogP2.04
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-anilino-3-oxopropyl)furan-2-carboxamide?
The IUPAC name of N-(3-anilino-3-oxopropyl)furan-2-carboxamide (CID 4817014) is N-(3-anilino-3-oxopropyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-anilino-3-oxopropyl)furan-2-carboxamide?
The canonical SMILES for N-(3-anilino-3-oxopropyl)furan-2-carboxamide is O=C(CCNC(=O)c1ccco1)Nc1ccccc1.
What is the InChIKey of N-(3-anilino-3-oxopropyl)furan-2-carboxamide?
The InChIKey is WXINCNROACXSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-13(16-11-5-2-1-3-6-11)8-9-15-14(18)12-7-4-10-19-12/h1-7,10H,8-9H2,(H,15,18)(H,16,17).
What are the key properties of N-(3-anilino-3-oxopropyl)furan-2-carboxamide?
N-(3-anilino-3-oxopropyl)furan-2-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilino-3-oxopropyl)furan-2-carboxamide is sourced from PubChem (CID 4817014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).