N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]furan-2-carboxamide

C17H22N2O5 — CID 3156868

IUPACN-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]furan-2-carboxamide
SMILESCOc1cc(OC)c(OC)cc1CNCCNC(=O)c1ccco1
InChIInChI=1S/C17H22N2O5/c1-21-14-10-16(23-3)15(22-2)9-12(14)11-18-6-7-19-17(20)13-5-4-8-24-13/h4-5,8-10,18H,6-7,11H2,1-3H3,(H,19,20)
InChIKeyLHXRIYMRVQLMQD-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.83
Rot. Bonds9

About N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]furan-2-carboxamide

N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]furan-2-carboxamide (PubChem CID 3156868) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]furan-2-carboxamide
PubChem CID3156868
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC NameN-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]furan-2-carboxamide
SMILESCOc1cc(OC)c(OC)cc1CNCCNC(=O)c1ccco1
InChIInChI=1S/C17H22N2O5/c1-21-14-10-16(23-3)15(22-2)9-12(14)11-18-6-7-19-17(20)13-5-4-8-24-13/h4-5,8-10,18H,6-7,11H2,1-3H3,(H,19,20)
InChIKeyLHXRIYMRVQLMQD-UHFFFAOYSA-N
XLogP1.83
TPSA81.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]furan-2-carboxamide (CID 3156868) is N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]furan-2-carboxamide is COc1cc(OC)c(OC)cc1CNCCNC(=O)c1ccco1.
What is the InChIKey of N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]furan-2-carboxamide?
The InChIKey is LHXRIYMRVQLMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-21-14-10-16(23-3)15(22-2)9-12(14)11-18-6-7-19-17(20)13-5-4-8-24-13/h4-5,8-10,18H,6-7,11H2,1-3H3,(H,19,20).
What are the key properties of N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]furan-2-carboxamide?
N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]furan-2-carboxamide has a molecular weight of 334.37 g/mol, XLogP of 1.83, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 3156868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).