N-(4-phenylbutan-2-ylideneamino)bicyclo[4.1.0]heptane-7-carboxamide

C18H24N2O — CID 579777

IUPACN-(4-phenylbutan-2-ylideneamino)bicyclo[4.1.0]heptane-7-carboxamide
SMILESCC(CCc1ccccc1)=NNC(=O)C1C2CCCCC21
InChIInChI=1S/C18H24N2O/c1-13(11-12-14-7-3-2-4-8-14)19-20-18(21)17-15-9-5-6-10-16(15)17/h2-4,7-8,15-17H,5-6,9-12H2,1H3,(H,20,21)
InChIKeyWAUKWYJESPFVEF-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.55
Rot. Bonds5

About N-(4-phenylbutan-2-ylideneamino)bicyclo[4.1.0]heptane-7-carboxamide

N-(4-phenylbutan-2-ylideneamino)bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 579777) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(4-phenylbutan-2-ylideneamino)bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-ylideneamino)bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID579777
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-(4-phenylbutan-2-ylideneamino)bicyclo[4.1.0]heptane-7-carboxamide
SMILESCC(CCc1ccccc1)=NNC(=O)C1C2CCCCC21
InChIInChI=1S/C18H24N2O/c1-13(11-12-14-7-3-2-4-8-14)19-20-18(21)17-15-9-5-6-10-16(15)17/h2-4,7-8,15-17H,5-6,9-12H2,1H3,(H,20,21)
InChIKeyWAUKWYJESPFVEF-UHFFFAOYSA-N
XLogP3.55
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

methyl N-[(Z)-4-phenylbutan-2-ylideneamino]carbamate
CID 9075450
N'-[(Z)-4-phenylbutan-2-ylideneamino]oxamide
CID 9120882
(1S,6S)-N-[(Z)-4-methylpentan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 7203143
(1R,6S)-N-[(Z)-1-naphthalen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 5409657
[(Z)-4-phenylbutan-2-ylideneamino]thiourea
CID 5360785
4-bromo-N-[(E)-4-phenylbutan-2-ylideneamino]benzamide
CID 7563691
[(E)-5-phenylpentan-2-ylideneamino]urea
CID 121008889
(1S,8R)-N-[1-(4-fluorophenyl)butylideneamino]bicyclo[6.1.0]nonane-9-carboxamide
CID 129439707
N'-[(Z)-4-phenylbutan-2-ylideneamino]-N-prop-2-enyloxamide
CID 94833681
N-(1-cyclopropylethylideneamino)bicyclo[4.1.0]heptane-7-carboxamide
CID 4219889
N-[(Z)-4-phenylbutan-2-ylideneamino]methanesulfonamide
CID 5333769
N-[(Z)-4-phenylbutan-2-ylideneamino]pyridine-3-carboxamide
CID 9059924

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-ylideneamino)bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-(4-phenylbutan-2-ylideneamino)bicyclo[4.1.0]heptane-7-carboxamide (CID 579777) is N-(4-phenylbutan-2-ylideneamino)bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-(4-phenylbutan-2-ylideneamino)bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-(4-phenylbutan-2-ylideneamino)bicyclo[4.1.0]heptane-7-carboxamide is CC(CCc1ccccc1)=NNC(=O)C1C2CCCCC21.
What is the InChIKey of N-(4-phenylbutan-2-ylideneamino)bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is WAUKWYJESPFVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13(11-12-14-7-3-2-4-8-14)19-20-18(21)17-15-9-5-6-10-16(15)17/h2-4,7-8,15-17H,5-6,9-12H2,1H3,(H,20,21).
What are the key properties of N-(4-phenylbutan-2-ylideneamino)bicyclo[4.1.0]heptane-7-carboxamide?
N-(4-phenylbutan-2-ylideneamino)bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-ylideneamino)bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 579777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).