N-[(E)-3,3-dimethylbutan-2-ylideneamino]-2-phenylcyclopropane-1-carboxamide

C16H22N2O — CID 6104863

IUPACN-[(E)-3,3-dimethylbutan-2-ylideneamino]-2-phenylcyclopropane-1-carboxamide
SMILESC/C(=N\NC(=O)C1CC1c1ccccc1)C(C)(C)C
InChIInChI=1S/C16H22N2O/c1-11(16(2,3)4)17-18-15(19)14-10-13(14)12-8-6-5-7-9-12/h5-9,13-14H,10H2,1-4H3,(H,18,19)/b17-11+
InChIKeyJIGWWRIHXUHLDE-GZTJUZNOSA-N
MW258.36 g/mol
LogP3.33
Rot. Bonds3

About N-[(E)-3,3-dimethylbutan-2-ylideneamino]-2-phenylcyclopropane-1-carboxamide

N-[(E)-3,3-dimethylbutan-2-ylideneamino]-2-phenylcyclopropane-1-carboxamide (PubChem CID 6104863) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[(E)-3,3-dimethylbutan-2-ylideneamino]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-3,3-dimethylbutan-2-ylideneamino]-2-phenylcyclopropane-1-carboxamide
PubChem CID6104863
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-[(E)-3,3-dimethylbutan-2-ylideneamino]-2-phenylcyclopropane-1-carboxamide
SMILESC/C(=N\NC(=O)C1CC1c1ccccc1)C(C)(C)C
InChIInChI=1S/C16H22N2O/c1-11(16(2,3)4)17-18-15(19)14-10-13(14)12-8-6-5-7-9-12/h5-9,13-14H,10H2,1-4H3,(H,18,19)/b17-11+
InChIKeyJIGWWRIHXUHLDE-GZTJUZNOSA-N
XLogP3.33
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.33
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

2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide
CID 3097435
cis-(1R,2S)-2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide
CID 129439028
trans-(1S,2S)-N-[(E)-1-cyclopropylethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 7203116
cis-(1S,2R)-N-(pentan-3-ylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 840675
N-(hexan-2-ylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 5069125
cis-(1R,2S)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135907421
cis-(1S,2R)-2-phenyl-N-(1-phenylpropylideneamino)cyclopropane-1-carboxamide
CID 129360074
trans-(1R,2R)-2-phenyl-N-(1-phenylpropylideneamino)cyclopropane-1-carboxamide
CID 904155
cis-(1R,2S)-2-phenyl-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]cyclopropane-1-carboxamide
CID 129439751
trans-(1R,2R)-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 40522727
cis-(1R,2S)-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 40522725
2-phenyl-N-[(Z)-1-thiophen-2-ylethylideneamino]cyclopropane-1-carboxamide
CID 6370476

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3,3-dimethylbutan-2-ylideneamino]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[(E)-3,3-dimethylbutan-2-ylideneamino]-2-phenylcyclopropane-1-carboxamide (CID 6104863) is N-[(E)-3,3-dimethylbutan-2-ylideneamino]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(E)-3,3-dimethylbutan-2-ylideneamino]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(E)-3,3-dimethylbutan-2-ylideneamino]-2-phenylcyclopropane-1-carboxamide is C/C(=N\NC(=O)C1CC1c1ccccc1)C(C)(C)C.
What is the InChIKey of N-[(E)-3,3-dimethylbutan-2-ylideneamino]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is JIGWWRIHXUHLDE-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(16(2,3)4)17-18-15(19)14-10-13(14)12-8-6-5-7-9-12/h5-9,13-14H,10H2,1-4H3,(H,18,19)/b17-11+.
What are the key properties of N-[(E)-3,3-dimethylbutan-2-ylideneamino]-2-phenylcyclopropane-1-carboxamide?
N-[(E)-3,3-dimethylbutan-2-ylideneamino]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3,3-dimethylbutan-2-ylideneamino]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 6104863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).