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

C18H22N2O2 — CID 6105123

IUPACN-[(Z)-1-(4-pentylphenyl)ethylideneamino]furan-2-carboxamide
SMILESCCCCCc1ccc(/C(C)=N\NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H22N2O2/c1-3-4-5-7-15-9-11-16(12-10-15)14(2)19-20-18(21)17-8-6-13-22-17/h6,8-13H,3-5,7H2,1-2H3,(H,20,21)/b19-14-
InChIKeySRJMENFNFIUKMV-RGEXLXHISA-N
MW298.39 g/mol
LogP4.17
Rot. Bonds7

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

N-[(Z)-1-(4-pentylphenyl)ethylideneamino]furan-2-carboxamide (PubChem CID 6105123) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(Z)-1-(4-pentylphenyl)ethylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-pentylphenyl)ethylideneamino]furan-2-carboxamide
PubChem CID6105123
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[(Z)-1-(4-pentylphenyl)ethylideneamino]furan-2-carboxamide
SMILESCCCCCc1ccc(/C(C)=N\NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H22N2O2/c1-3-4-5-7-15-9-11-16(12-10-15)14(2)19-20-18(21)17-8-6-13-22-17/h6,8-13H,3-5,7H2,1-2H3,(H,20,21)/b19-14-
InChIKeySRJMENFNFIUKMV-RGEXLXHISA-N
XLogP4.17
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methylphenyl)ethylideneamino]furan-2-carboxamide
CID 5087593
N'-(4-hexylbenzoyl)furan-2-carbohydrazide
CID 6733621
N-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide
CID 5340021
N-[1-(4-phenylphenyl)ethylideneamino]furan-2-carboxamide
CID 761397
N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
N-[1-(4-nitrophenyl)ethylideneamino]furan-2-carboxamide
CID 760185
N-[(Z)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]furan-2-carboxamide
CID 6009222
5-[4-[(E)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]anilino]-5-oxopentanoic acid
CID 7261370
N-[(E)-1-naphthalen-2-ylethylideneamino]furan-2-carboxamide
CID 7460942
N-(1-phenylpentylideneamino)furan-2-carboxamide
CID 4993294
N-[(4-tetradecylphenyl)carbamothioyl]furan-2-carboxamide
CID 11732936
N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 6007896

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-pentylphenyl)ethylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(Z)-1-(4-pentylphenyl)ethylideneamino]furan-2-carboxamide (CID 6105123) is N-[(Z)-1-(4-pentylphenyl)ethylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-(4-pentylphenyl)ethylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(Z)-1-(4-pentylphenyl)ethylideneamino]furan-2-carboxamide is CCCCCc1ccc(/C(C)=N\NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[(Z)-1-(4-pentylphenyl)ethylideneamino]furan-2-carboxamide?
The InChIKey is SRJMENFNFIUKMV-RGEXLXHISA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-4-5-7-15-9-11-16(12-10-15)14(2)19-20-18(21)17-8-6-13-22-17/h6,8-13H,3-5,7H2,1-2H3,(H,20,21)/b19-14-.
What are the key properties of N-[(Z)-1-(4-pentylphenyl)ethylideneamino]furan-2-carboxamide?
N-[(Z)-1-(4-pentylphenyl)ethylideneamino]furan-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-pentylphenyl)ethylideneamino]furan-2-carboxamide is sourced from PubChem (CID 6105123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).