N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide

C14H14N2O2 — CID 5087593

IUPACN-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide
SMILESCC(=NNC(=O)c1ccco1)c1ccc(C)cc1
InChIInChI=1S/C14H14N2O2/c1-10-5-7-12(8-6-10)11(2)15-16-14(17)13-4-3-9-18-13/h3-9H,1-2H3,(H,16,17)
InChIKeyCNAIXSMOHXRPFO-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.74
Rot. Bonds3

About N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide

N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide (PubChem CID 5087593) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide
PubChem CID5087593
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide
SMILESCC(=NNC(=O)c1ccco1)c1ccc(C)cc1
InChIInChI=1S/C14H14N2O2/c1-10-5-7-12(8-6-10)11(2)15-16-14(17)13-4-3-9-18-13/h3-9H,1-2H3,(H,16,17)
InChIKeyCNAIXSMOHXRPFO-UHFFFAOYSA-N
XLogP2.74
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-phenylphenyl)ethylideneamino]furan-2-carboxamide
CID 761397
N-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide
CID 5340021
N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
N-[1-(4-nitrophenyl)ethylideneamino]furan-2-carboxamide
CID 760185
N-[(E)-1-naphthalen-2-ylethylideneamino]furan-2-carboxamide
CID 7460942
N-[(Z)-1-(4-pentylphenyl)ethylideneamino]furan-2-carboxamide
CID 6105123
N-[(E)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 6949118
N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 6007896
N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 840435
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide
CID 760187
N-[(Z)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]furan-2-carboxamide
CID 6009222
N-[1-(furan-2-yl)ethylideneamino]-3-methylbenzamide
CID 910469

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide?
The IUPAC name of N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide (CID 5087593) is N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide is CC(=NNC(=O)c1ccco1)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide?
The InChIKey is CNAIXSMOHXRPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10-5-7-12(8-6-10)11(2)15-16-14(17)13-4-3-9-18-13/h3-9H,1-2H3,(H,16,17).
What are the key properties of N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide?
N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide is sourced from PubChem (CID 5087593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).