N-ethyl-2-phenylfuran-3-carboxamide;N-methylmethanamine;dihydrochloride

C15H22Cl2N2O2 — CID 70215645

IUPACN-ethyl-2-phenylfuran-3-carboxamide;N-methylmethanamine;dihydrochloride
SMILESCCNC(=O)c1ccoc1-c1ccccc1.CNC.Cl.Cl
InChIInChI=1S/C13H13NO2.C2H7N.2ClH/c1-2-14-13(15)11-8-9-16-12(11)10-6-4-3-5-7-10;1-3-2;;/h3-9H,2H2,1H3,(H,14,15);3H,1-2H3;2*1H
InChIKeyQOOPAFDBTNSTHX-UHFFFAOYSA-N
MW333.26 g/mol
LogP3.38
Rot. Bonds3

About N-ethyl-2-phenylfuran-3-carboxamide;N-methylmethanamine;dihydrochloride

N-ethyl-2-phenylfuran-3-carboxamide;N-methylmethanamine;dihydrochloride (PubChem CID 70215645) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is N-ethyl-2-phenylfuran-3-carboxamide;N-methylmethanamine;dihydrochloride.

Molecular Properties

Compound NameN-ethyl-2-phenylfuran-3-carboxamide;N-methylmethanamine;dihydrochloride
PubChem CID70215645
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC NameN-ethyl-2-phenylfuran-3-carboxamide;N-methylmethanamine;dihydrochloride
SMILESCCNC(=O)c1ccoc1-c1ccccc1.CNC.Cl.Cl
InChIInChI=1S/C13H13NO2.C2H7N.2ClH/c1-2-14-13(15)11-8-9-16-12(11)10-6-4-3-5-7-10;1-3-2;;/h3-9H,2H2,1H3,(H,14,15);3H,1-2H3;2*1H
InChIKeyQOOPAFDBTNSTHX-UHFFFAOYSA-N
XLogP3.38
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-amino-N-ethyl-2-phenylbenzamide
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2-[2,6-bis(ethylcarbamoyl)phenyl]-1-N,3-N-diethylbenzene-1,3-dicarboxamide
CID 4866653
N-ethyl-2-phenyl-5-pyridin-3-ylpyridine-3-carboxamide
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N-methylmethanamine;N-propyl-4-[2-[4-(propylcarbamoyl)phenyl]furan-3-yl]benzamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-phenylfuran-3-carboxamide;N-methylmethanamine;dihydrochloride?
The IUPAC name of N-ethyl-2-phenylfuran-3-carboxamide;N-methylmethanamine;dihydrochloride (CID 70215645) is N-ethyl-2-phenylfuran-3-carboxamide;N-methylmethanamine;dihydrochloride.
What is the SMILES notation for N-ethyl-2-phenylfuran-3-carboxamide;N-methylmethanamine;dihydrochloride?
The canonical SMILES for N-ethyl-2-phenylfuran-3-carboxamide;N-methylmethanamine;dihydrochloride is CCNC(=O)c1ccoc1-c1ccccc1.CNC.Cl.Cl.
What is the InChIKey of N-ethyl-2-phenylfuran-3-carboxamide;N-methylmethanamine;dihydrochloride?
The InChIKey is QOOPAFDBTNSTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2.C2H7N.2ClH/c1-2-14-13(15)11-8-9-16-12(11)10-6-4-3-5-7-10;1-3-2;;/h3-9H,2H2,1H3,(H,14,15);3H,1-2H3;2*1H.
What are the key properties of N-ethyl-2-phenylfuran-3-carboxamide;N-methylmethanamine;dihydrochloride?
N-ethyl-2-phenylfuran-3-carboxamide;N-methylmethanamine;dihydrochloride has a molecular weight of 333.26 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-phenylfuran-3-carboxamide;N-methylmethanamine;dihydrochloride is sourced from PubChem (CID 70215645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).