N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide

C17H20N2O4 — CID 78878242

IUPACN-[[3-(ethylcarbamoyl)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCCNC(=O)c1cccc(CNC(=O)c2ccc(COC)o2)c1
InChIInChI=1S/C17H20N2O4/c1-3-18-16(20)13-6-4-5-12(9-13)10-19-17(21)15-8-7-14(23-15)11-22-2/h4-9H,3,10-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyLJLMITIBIPJUTL-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.11
Rot. Bonds7

About N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide

N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide (PubChem CID 78878242) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(ethylcarbamoyl)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide
PubChem CID78878242
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-[[3-(ethylcarbamoyl)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCCNC(=O)c1cccc(CNC(=O)c2ccc(COC)o2)c1
InChIInChI=1S/C17H20N2O4/c1-3-18-16(20)13-6-4-5-12(9-13)10-19-17(21)15-8-7-14(23-15)11-22-2/h4-9H,3,10-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyLJLMITIBIPJUTL-UHFFFAOYSA-N
XLogP2.11
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methoxymethyl)-N-[3-(propylcarbamoyl)phenyl]furan-2-carboxamide
CID 78878517
5-(methoxymethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide
CID 78875904
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
N-[(3-carbamothioylphenyl)methyl]-5-ethylfuran-2-carboxamide
CID 79095103
N-[[4-(ethoxymethyl)phenyl]methyl]-3-(methoxymethyl)benzamide
CID 37358180
N-[[4-(butanoylamino)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78887130
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide
CID 7603190
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide
CID 56700613
5-(methoxymethyl)-N-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 78851950
5-(methoxymethyl)-N-[(4-methylsulfonylphenyl)methyl]furan-2-carboxamide
CID 78872860
methyl N-[4-[[[5-(methoxymethyl)furan-2-carbonyl]amino]methyl]phenyl]carbamate
CID 78902905
N-ethyl-4-[[[4-(methoxymethyl)benzoyl]amino]methyl]benzamide
CID 86990014

Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide (CID 78878242) is N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide is CCNC(=O)c1cccc(CNC(=O)c2ccc(COC)o2)c1.
What is the InChIKey of N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide?
The InChIKey is LJLMITIBIPJUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-3-18-16(20)13-6-4-5-12(9-13)10-19-17(21)15-8-7-14(23-15)11-22-2/h4-9H,3,10-11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide?
N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 78878242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).