N-[2-[(4-butoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]furan-3-carboxamide

C19H24N2O5 — CID 39970273

IUPACN-[2-[(4-butoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]furan-3-carboxamide
SMILESCCCCOc1ccc(CNC(=O)CNC(=O)c2ccoc2)cc1OC
InChIInChI=1S/C19H24N2O5/c1-3-4-8-26-16-6-5-14(10-17(16)24-2)11-20-18(22)12-21-19(23)15-7-9-25-13-15/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyFCNLTGMUWXVSSB-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.51
Rot. Bonds10

About N-[2-[(4-butoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]furan-3-carboxamide

N-[2-[(4-butoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]furan-3-carboxamide (PubChem CID 39970273) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[2-[(4-butoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-butoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]furan-3-carboxamide
PubChem CID39970273
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC NameN-[2-[(4-butoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]furan-3-carboxamide
SMILESCCCCOc1ccc(CNC(=O)CNC(=O)c2ccoc2)cc1OC
InChIInChI=1S/C19H24N2O5/c1-3-4-8-26-16-6-5-14(10-17(16)24-2)11-20-18(22)12-21-19(23)15-7-9-25-13-15/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyFCNLTGMUWXVSSB-UHFFFAOYSA-N
XLogP2.51
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-butoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]furan-3-carboxamide?
The IUPAC name of N-[2-[(4-butoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]furan-3-carboxamide (CID 39970273) is N-[2-[(4-butoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-[(4-butoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-[(4-butoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]furan-3-carboxamide is CCCCOc1ccc(CNC(=O)CNC(=O)c2ccoc2)cc1OC.
What is the InChIKey of N-[2-[(4-butoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]furan-3-carboxamide?
The InChIKey is FCNLTGMUWXVSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-3-4-8-26-16-6-5-14(10-17(16)24-2)11-20-18(22)12-21-19(23)15-7-9-25-13-15/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[(4-butoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]furan-3-carboxamide?
N-[2-[(4-butoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]furan-3-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 2.51, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-butoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]furan-3-carboxamide is sourced from PubChem (CID 39970273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).