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

C17H20N2O4 — CID 108539017

IUPACN-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide
SMILESCCOc1ccc(CC(=O)NCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C17H20N2O4/c1-2-22-14-7-5-13(6-8-14)12-16(20)18-9-10-19-17(21)15-4-3-11-23-15/h3-8,11H,2,9-10,12H2,1H3,(H,18,20)(H,19,21)
InChIKeyBNFQPDPTPHAFMJ-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.77
Rot. Bonds8

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

N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide (PubChem CID 108539017) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide
PubChem CID108539017
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide
SMILESCCOc1ccc(CC(=O)NCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C17H20N2O4/c1-2-22-14-7-5-13(6-8-14)12-16(20)18-9-10-19-17(21)15-4-3-11-23-15/h3-8,11H,2,9-10,12H2,1H3,(H,18,20)(H,19,21)
InChIKeyBNFQPDPTPHAFMJ-UHFFFAOYSA-N
XLogP1.77
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]furan-2-carboxamide
CID 31819893
N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
N-[2,2-bis(furan-2-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 131702564
2-[(4-ethoxyphenyl)methyl]-3-(furan-2-carbonylamino)propanoic acid
CID 119232251
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]butanamide
CID 108573115
ethyl N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]carbamate
CID 108573122
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7909197
N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
CID 108571159
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840
N-but-3-enyl-2-(4-ethoxyphenyl)acetamide
CID 113466030
N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide
CID 24683474
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-3-hydroxybenzamide
CID 108541923

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide (CID 108539017) is N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide is CCOc1ccc(CC(=O)NCCNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide?
The InChIKey is BNFQPDPTPHAFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-2-22-14-7-5-13(6-8-14)12-16(20)18-9-10-19-17(21)15-4-3-11-23-15/h3-8,11H,2,9-10,12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide?
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 108539017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).