N-[2-(diethylamino)ethyl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide

C19H25N3O5 — CID 19461738

IUPACN-[2-(diethylamino)ethyl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(COc2ccc([N+](=O)[O-])c(C)c2)o1
InChIInChI=1S/C19H25N3O5/c1-4-21(5-2)11-10-20-19(23)18-9-7-16(27-18)13-26-15-6-8-17(22(24)25)14(3)12-15/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,20,23)
InChIKeyNGYBSLRRKYKELP-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.15
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide

N-[2-(diethylamino)ethyl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide (PubChem CID 19461738) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
PubChem CID19461738
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC NameN-[2-(diethylamino)ethyl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(COc2ccc([N+](=O)[O-])c(C)c2)o1
InChIInChI=1S/C19H25N3O5/c1-4-21(5-2)11-10-20-19(23)18-9-7-16(27-18)13-26-15-6-8-17(22(24)25)14(3)12-15/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,20,23)
InChIKeyNGYBSLRRKYKELP-UHFFFAOYSA-N
XLogP3.15
TPSA97.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461733
5-[(3-methyl-4-nitrophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 19332346
5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxylic acid
CID 7015957
5-[(4-chlorophenoxy)methyl]-N-[2-(diethylamino)ethyl]furan-2-carboxamide
CID 19415421
N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19294335
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19332951
5-[(3-methyl-4-nitrophenoxy)methyl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]furan-2-carboxamide
CID 19295736
N-(1,3-dimethylpyrazol-4-yl)-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19346174
5-[(3,4-dimethylphenoxy)methyl]-N-(4-ethoxy-2-nitrophenyl)furan-2-carboxamide
CID 19450848
5-[(3,4-dimethylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
CID 19450857
5-[(4-chlorophenoxy)methyl]-N-[3-(diethylamino)propyl]furan-2-carboxamide
CID 19415422
N-[2-(diethylamino)ethyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415635

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide (CID 19461738) is N-[2-(diethylamino)ethyl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide is CCN(CC)CCNC(=O)c1ccc(COc2ccc([N+](=O)[O-])c(C)c2)o1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide?
The InChIKey is NGYBSLRRKYKELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-4-21(5-2)11-10-20-19(23)18-9-7-16(27-18)13-26-15-6-8-17(22(24)25)14(3)12-15/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,20,23).
What are the key properties of N-[2-(diethylamino)ethyl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide?
N-[2-(diethylamino)ethyl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.15, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19461738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).