N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide

C17H20N2O5 — CID 24683474

IUPACN-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide
SMILESCOc1ccc(CC(=O)NCCNC(=O)c2ccco2)c(OC)c1
InChIInChI=1S/C17H20N2O5/c1-22-13-6-5-12(15(11-13)23-2)10-16(20)18-7-8-19-17(21)14-4-3-9-24-14/h3-6,9,11H,7-8,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeySCJFFSMYEASZLD-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.39
Rot. Bonds8

About N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide

N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide (PubChem CID 24683474) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide
PubChem CID24683474
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC NameN-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide
SMILESCOc1ccc(CC(=O)NCCNC(=O)c2ccco2)c(OC)c1
InChIInChI=1S/C17H20N2O5/c1-22-13-6-5-12(15(11-13)23-2)10-16(20)18-7-8-19-17(21)14-4-3-9-24-14/h3-6,9,11H,7-8,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeySCJFFSMYEASZLD-UHFFFAOYSA-N
XLogP1.39
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.39
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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Related Compounds

N-(2-acetamidoethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 30597310
2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 43389932
N-[2-[(2-fluoro-4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide
CID 86920882
N-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]furan-2-carboxamide
CID 36505080
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide
CID 108539017
N-[(2,4-dimethoxyphenyl)methyl]-3-[(2-phenylacetyl)amino]propanamide
CID 46590301
N-[2-(7-methoxynaphthalen-1-yl)ethyl]furan-2-carboxamide
CID 44581533
N-[3-[2-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]furan-2-carboxamide
CID 26457203
N-[(2-methoxy-4-propan-2-ylphenyl)methyl]furan-2-carboxamide
CID 110782905
N-[2-(5-bromo-2-methoxyphenyl)ethyl]furan-2-carboxamide
CID 110788022
N-[4-[1-(2,5-dimethoxyphenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide
CID 51207731
N-(cyanomethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 96660716

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide (CID 24683474) is N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide is COc1ccc(CC(=O)NCCNC(=O)c2ccco2)c(OC)c1.
What is the InChIKey of N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide?
The InChIKey is SCJFFSMYEASZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-22-13-6-5-12(15(11-13)23-2)10-16(20)18-7-8-19-17(21)14-4-3-9-24-14/h3-6,9,11H,7-8,10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide?
N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 24683474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).