N-[1-[[3-(ethoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide

C18H22N2O4 — CID 51089781

IUPACN-[1-[[3-(ethoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCCOCc1cccc(CNC(=O)C(C)NC(=O)c2ccoc2)c1
InChIInChI=1S/C18H22N2O4/c1-3-23-11-15-6-4-5-14(9-15)10-19-17(21)13(2)20-18(22)16-7-8-24-12-16/h4-9,12-13H,3,10-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyZPXMPZHECFLKGR-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.25
Rot. Bonds8

About N-[1-[[3-(ethoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide

N-[1-[[3-(ethoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 51089781) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[1-[[3-(ethoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[3-(ethoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID51089781
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[1-[[3-(ethoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCCOCc1cccc(CNC(=O)C(C)NC(=O)c2ccoc2)c1
InChIInChI=1S/C18H22N2O4/c1-3-23-11-15-6-4-5-14(9-15)10-19-17(21)13(2)20-18(22)16-7-8-24-12-16/h4-9,12-13H,3,10-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyZPXMPZHECFLKGR-UHFFFAOYSA-N
XLogP2.25
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide
CID 94031986
N-[1-oxo-1-[[3-(phenylcarbamoyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide
CID 47056942
N-[1-[3-(furan-2-ylmethoxymethyl)anilino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 55932538
N-[(2S)-1-[3-(methoxymethyl)anilino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 94032624
N-[1-oxo-1-[(2-phenoxy-4-pyridinyl)methylamino]propan-2-yl]furan-3-carboxamide
CID 47057211
N-[1-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 47057976
2-benzyl-3-[2-(furan-3-carbonylamino)propanoylamino]propanoic acid
CID 119233505
N-[1-[[(2R)-2-(ethylamino)propyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
CID 120653406
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119626005
N-[[3-(diethylaminomethyl)phenyl]methyl]furan-3-carboxamide
CID 47046081
(2R)-2-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119289195
N-[(2R)-1-[[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 94812595

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(ethoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[1-[[3-(ethoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide (CID 51089781) is N-[1-[[3-(ethoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[[3-(ethoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-[[3-(ethoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide is CCOCc1cccc(CNC(=O)C(C)NC(=O)c2ccoc2)c1.
What is the InChIKey of N-[1-[[3-(ethoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is ZPXMPZHECFLKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-3-23-11-15-6-4-5-14(9-15)10-19-17(21)13(2)20-18(22)16-7-8-24-12-16/h4-9,12-13H,3,10-11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[1-[[3-(ethoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide?
N-[1-[[3-(ethoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(ethoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 51089781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).