N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]cyclopropanecarboxamide

C16H22N2O — CID 6019410

IUPACN-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]cyclopropanecarboxamide
SMILESC/C(=N/NC(=O)C1CC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H22N2O/c1-11(17-18-15(19)13-5-6-13)12-7-9-14(10-8-12)16(2,3)4/h7-10,13H,5-6H2,1-4H3,(H,18,19)/b17-11-
InChIKeyFDTFTYNVNIKHDN-BOPFTXTBSA-N
MW258.37 g/mol
LogP3.23
Rot. Bonds3

About N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]cyclopropanecarboxamide

N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]cyclopropanecarboxamide (PubChem CID 6019410) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]cyclopropanecarboxamide
PubChem CID6019410
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]cyclopropanecarboxamide
SMILESC/C(=N/NC(=O)C1CC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H22N2O/c1-11(17-18-15(19)13-5-6-13)12-7-9-14(10-8-12)16(2,3)4/h7-10,13H,5-6H2,1-4H3,(H,18,19)/b17-11-
InChIKeyFDTFTYNVNIKHDN-BOPFTXTBSA-N
XLogP3.23
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.23
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-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide
CID 136690060
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]cyclopropanecarboxamide
CID 6078923
N-[(Z)-1-phenylethylideneamino]cyclopropanecarboxamide
CID 5420065
4-tert-butyl-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide
CID 4250285
N-[(E)-1-(4-chlorophenyl)ethylideneamino]cyclopentanecarboxamide
CID 25237608
[1-(4-tert-butylphenyl)ethylideneamino]urea
CID 5041387
4-chloro-N-[4-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]benzamide
CID 5432243
N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]cyclopropanecarboxamide
CID 9234157
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide
CID 6183873
trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]cyclopropane-1-carboxamide
CID 7334337
4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide
CID 3435127
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]pyridine-4-carboxamide
CID 5394794

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]cyclopropanecarboxamide (CID 6019410) is N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]cyclopropanecarboxamide is C/C(=N/NC(=O)C1CC1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]cyclopropanecarboxamide?
The InChIKey is FDTFTYNVNIKHDN-BOPFTXTBSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(17-18-15(19)13-5-6-13)12-7-9-14(10-8-12)16(2,3)4/h7-10,13H,5-6H2,1-4H3,(H,18,19)/b17-11-.
What are the key properties of N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]cyclopropanecarboxamide?
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]cyclopropanecarboxamide has a molecular weight of 258.37 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 6019410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).