N-(1-phenylpentylideneamino)furan-2-carboxamide

C16H18N2O2 — CID 4993294

IUPACN-(1-phenylpentylideneamino)furan-2-carboxamide
SMILESCCCCC(=NNC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-2-3-10-14(13-8-5-4-6-9-13)17-18-16(19)15-11-7-12-20-15/h4-9,11-12H,2-3,10H2,1H3,(H,18,19)
InChIKeyJMZGEZJMLUCZGM-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.60
Rot. Bonds6

About N-(1-phenylpentylideneamino)furan-2-carboxamide

N-(1-phenylpentylideneamino)furan-2-carboxamide (PubChem CID 4993294) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(1-phenylpentylideneamino)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-phenylpentylideneamino)furan-2-carboxamide
PubChem CID4993294
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-(1-phenylpentylideneamino)furan-2-carboxamide
SMILESCCCCC(=NNC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-2-3-10-14(13-8-5-4-6-9-13)17-18-16(19)15-11-7-12-20-15/h4-9,11-12H,2-3,10H2,1H3,(H,18,19)
InChIKeyJMZGEZJMLUCZGM-UHFFFAOYSA-N
XLogP3.60
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.60
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-[(Z)-1-(4-bromophenyl)propylideneamino]furan-2-carboxamide
CID 6272309
3-fluoro-N-[(E)-1-phenylpentylideneamino]benzamide
CID 19685646
N-(1-phenylpentylideneamino)octanamide
CID 4676930
N-[(Z)-1-(4-pentylphenyl)ethylideneamino]furan-2-carboxamide
CID 6105123
4-ethoxy-N-(1-phenylpentylideneamino)benzamide
CID 5197608
2-methoxy-N-(1-phenylpentylideneamino)benzamide
CID 4692149
N-(1-phenylhexylideneamino)pyridine-4-carboxamide
CID 2838403
4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide
CID 3380724
N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5396908
N-(1-phenylhexylideneamino)-4-phenylmethoxybenzamide
CID 4933075
N-[1-(4-phenylphenyl)ethylideneamino]furan-2-carboxamide
CID 761397
N-[(E)-1-(5-methylthiophen-2-yl)butylideneamino]furan-2-carboxamide
CID 6005254

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpentylideneamino)furan-2-carboxamide?
The IUPAC name of N-(1-phenylpentylideneamino)furan-2-carboxamide (CID 4993294) is N-(1-phenylpentylideneamino)furan-2-carboxamide.
What is the SMILES notation for N-(1-phenylpentylideneamino)furan-2-carboxamide?
The canonical SMILES for N-(1-phenylpentylideneamino)furan-2-carboxamide is CCCCC(=NNC(=O)c1ccco1)c1ccccc1.
What is the InChIKey of N-(1-phenylpentylideneamino)furan-2-carboxamide?
The InChIKey is JMZGEZJMLUCZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-3-10-14(13-8-5-4-6-9-13)17-18-16(19)15-11-7-12-20-15/h4-9,11-12H,2-3,10H2,1H3,(H,18,19).
What are the key properties of N-(1-phenylpentylideneamino)furan-2-carboxamide?
N-(1-phenylpentylideneamino)furan-2-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpentylideneamino)furan-2-carboxamide is sourced from PubChem (CID 4993294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).