N-[1-(4-butylphenyl)ethylideneamino]cyclopentanecarboxamide

C18H26N2O — CID 24818445

IUPACN-[1-(4-butylphenyl)ethylideneamino]cyclopentanecarboxamide
SMILESCCCCc1ccc(C(C)=NNC(=O)C2CCCC2)cc1
InChIInChI=1S/C18H26N2O/c1-3-4-7-15-10-12-16(13-11-15)14(2)19-20-18(21)17-8-5-6-9-17/h10-13,17H,3-9H2,1-2H3,(H,20,21)
InChIKeyBMCRTBFTQOYIRV-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.06
Rot. Bonds6

About N-[1-(4-butylphenyl)ethylideneamino]cyclopentanecarboxamide

N-[1-(4-butylphenyl)ethylideneamino]cyclopentanecarboxamide (PubChem CID 24818445) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[1-(4-butylphenyl)ethylideneamino]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-butylphenyl)ethylideneamino]cyclopentanecarboxamide
PubChem CID24818445
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[1-(4-butylphenyl)ethylideneamino]cyclopentanecarboxamide
SMILESCCCCc1ccc(C(C)=NNC(=O)C2CCCC2)cc1
InChIInChI=1S/C18H26N2O/c1-3-4-7-15-10-12-16(13-11-15)14(2)19-20-18(21)17-8-5-6-9-17/h10-13,17H,3-9H2,1-2H3,(H,20,21)
InChIKeyBMCRTBFTQOYIRV-UHFFFAOYSA-N
XLogP4.06
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.06
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

N-[(E)-1-(4-chlorophenyl)ethylideneamino]cyclopentanecarboxamide
CID 25237608
(4-butylphenyl)-cyclobutylmethanone;ethane
CID 177148339
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide
CID 136690060
N-[4-[N-(dodecanoylamino)-C-methylcarbonimidoyl]phenyl]cyclohexanecarboxamide
CID 5223518
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]cyclopropanecarboxamide
CID 6078923
cyclopentyl-(4-pentylphenyl)methanone
CID 146007805
N-[(Z)-1-phenylethylideneamino]cyclopropanecarboxamide
CID 5420065
N-(1-naphthalen-2-ylethylideneamino)cyclohexanecarboxamide
CID 832851
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]cyclopropanecarboxamide
CID 6019410
N'-[(Z)-1-(4-butylphenyl)ethylideneamino]-N-(4-methylphenyl)oxamide
CID 9180162
4-butyl-N-cyclopentylbenzamide
CID 60674795
N,N'-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]butanediamide
CID 3344683

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butylphenyl)ethylideneamino]cyclopentanecarboxamide?
The IUPAC name of N-[1-(4-butylphenyl)ethylideneamino]cyclopentanecarboxamide (CID 24818445) is N-[1-(4-butylphenyl)ethylideneamino]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-(4-butylphenyl)ethylideneamino]cyclopentanecarboxamide?
The canonical SMILES for N-[1-(4-butylphenyl)ethylideneamino]cyclopentanecarboxamide is CCCCc1ccc(C(C)=NNC(=O)C2CCCC2)cc1.
What is the InChIKey of N-[1-(4-butylphenyl)ethylideneamino]cyclopentanecarboxamide?
The InChIKey is BMCRTBFTQOYIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-4-7-15-10-12-16(13-11-15)14(2)19-20-18(21)17-8-5-6-9-17/h10-13,17H,3-9H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(4-butylphenyl)ethylideneamino]cyclopentanecarboxamide?
N-[1-(4-butylphenyl)ethylideneamino]cyclopentanecarboxamide has a molecular weight of 286.42 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butylphenyl)ethylideneamino]cyclopentanecarboxamide is sourced from PubChem (CID 24818445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).