2-methyl-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]butanamide

C21H24N2O2 — CID 143726529

IUPAC2-methyl-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]butanamide
SMILESC=N/C(=C(/NC(=O)C(C)CC)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-4-16(2)20(24)23-21(25-15-17-11-7-5-8-12-17)19(22-3)18-13-9-6-10-14-18/h5-14,16H,3-4,15H2,1-2H3,(H,23,24)/b21-19-
InChIKeyKUJWYUVVIVCUOR-VZCXRCSSSA-N
MW336.44 g/mol
LogP4.39
Rot. Bonds8

About 2-methyl-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]butanamide

2-methyl-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]butanamide (PubChem CID 143726529) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-methyl-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]butanamide
PubChem CID143726529
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name2-methyl-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]butanamide
SMILESC=N/C(=C(/NC(=O)C(C)CC)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-4-16(2)20(24)23-21(25-15-17-11-7-5-8-12-17)19(22-3)18-13-9-6-10-14-18/h5-14,16H,3-4,15H2,1-2H3,(H,23,24)/b21-19-
InChIKeyKUJWYUVVIVCUOR-VZCXRCSSSA-N
XLogP4.39
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-2,2-difluorocyclopropane-1-carboxamide
CID 71085668
N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 143726600
2,2-difluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]cyclopropane-1-carboxamide
CID 143726664
2,2,2-trifluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenyl]acetamide
CID 143726730
N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)cyclopropanecarboxamide
CID 71085656
N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)cyclobutanecarboxamide
CID 71085680
N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-2-propylpentanamide
CID 71085824
N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-2,2-dimethylpropanamide
CID 71085828
aniline;benzyl N-butanoylcarbamate;ethane
CID 143124451
tert-butyl N-[(Z)-2-cyclohexa-1,3-dien-1-yl-2-(methylideneamino)-1-phenylmethoxyethenyl]carbamate
CID 143726537
(2Z)-2-(1-chloroethenyl)-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]penta-2,4-dienamide
CID 143726570
tert-butyl N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]carbamate
CID 143726586

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]butanamide?
The IUPAC name of 2-methyl-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]butanamide (CID 143726529) is 2-methyl-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]butanamide.
What is the SMILES notation for 2-methyl-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]butanamide?
The canonical SMILES for 2-methyl-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]butanamide is C=N/C(=C(/NC(=O)C(C)CC)OCc1ccccc1)c1ccccc1.
What is the InChIKey of 2-methyl-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]butanamide?
The InChIKey is KUJWYUVVIVCUOR-VZCXRCSSSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-4-16(2)20(24)23-21(25-15-17-11-7-5-8-12-17)19(22-3)18-13-9-6-10-14-18/h5-14,16H,3-4,15H2,1-2H3,(H,23,24)/b21-19-.
What are the key properties of 2-methyl-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]butanamide?
2-methyl-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]butanamide has a molecular weight of 336.44 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]butanamide is sourced from PubChem (CID 143726529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).