N-[3-(3-methylanilino)-3-oxopropyl]furan-2-carboxamide

C15H16N2O3 — CID 2571625

IUPACN-[3-(3-methylanilino)-3-oxopropyl]furan-2-carboxamide
SMILESCc1cccc(NC(=O)CCNC(=O)c2ccco2)c1
InChIInChI=1S/C15H16N2O3/c1-11-4-2-5-12(10-11)17-14(18)7-8-16-15(19)13-6-3-9-20-13/h2-6,9-10H,7-8H2,1H3,(H,16,19)(H,17,18)
InChIKeyPXDBPLHZZYIIRL-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.35
Rot. Bonds5

About N-[3-(3-methylanilino)-3-oxopropyl]furan-2-carboxamide

N-[3-(3-methylanilino)-3-oxopropyl]furan-2-carboxamide (PubChem CID 2571625) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[3-(3-methylanilino)-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methylanilino)-3-oxopropyl]furan-2-carboxamide
PubChem CID2571625
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-[3-(3-methylanilino)-3-oxopropyl]furan-2-carboxamide
SMILESCc1cccc(NC(=O)CCNC(=O)c2ccco2)c1
InChIInChI=1S/C15H16N2O3/c1-11-4-2-5-12(10-11)17-14(18)7-8-16-15(19)13-6-3-9-20-13/h2-6,9-10H,7-8H2,1H3,(H,16,19)(H,17,18)
InChIKeyPXDBPLHZZYIIRL-UHFFFAOYSA-N
XLogP2.35
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylanilino)-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-(3-methylanilino)-3-oxopropyl]furan-2-carboxamide (CID 2571625) is N-[3-(3-methylanilino)-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(3-methylanilino)-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(3-methylanilino)-3-oxopropyl]furan-2-carboxamide is Cc1cccc(NC(=O)CCNC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-(3-methylanilino)-3-oxopropyl]furan-2-carboxamide?
The InChIKey is PXDBPLHZZYIIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-11-4-2-5-12(10-11)17-14(18)7-8-16-15(19)13-6-3-9-20-13/h2-6,9-10H,7-8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[3-(3-methylanilino)-3-oxopropyl]furan-2-carboxamide?
N-[3-(3-methylanilino)-3-oxopropyl]furan-2-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylanilino)-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 2571625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).