2-[(2-methyl-1-phenylpropylidene)amino]-2-phenylacetamide

C18H20N2O — CID 45140117

IUPAC2-[(2-methyl-1-phenylpropylidene)amino]-2-phenylacetamide
SMILESCC(C)/C(=N\C(C(N)=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O/c1-13(2)16(14-9-5-3-6-10-14)20-17(18(19)21)15-11-7-4-8-12-15/h3-13,17H,1-2H3,(H2,19,21)/b20-16+
InChIKeyBJXRYJQZXYULHL-CAPFRKAQSA-N
MW280.37 g/mol
LogP3.36
Rot. Bonds5

About 2-[(2-methyl-1-phenylpropylidene)amino]-2-phenylacetamide

2-[(2-methyl-1-phenylpropylidene)amino]-2-phenylacetamide (PubChem CID 45140117) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[(2-methyl-1-phenylpropylidene)amino]-2-phenylacetamide.

Molecular Properties

Compound Name2-[(2-methyl-1-phenylpropylidene)amino]-2-phenylacetamide
PubChem CID45140117
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-[(2-methyl-1-phenylpropylidene)amino]-2-phenylacetamide
SMILESCC(C)/C(=N\C(C(N)=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O/c1-13(2)16(14-9-5-3-6-10-14)20-17(18(19)21)15-11-7-4-8-12-15/h3-13,17H,1-2H3,(H2,19,21)/b20-16+
InChIKeyBJXRYJQZXYULHL-CAPFRKAQSA-N
XLogP3.36
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[(2-methyl-1-phenylpropylidene)amino]urea
CID 73200660
2-methoxyethyl (NZ)-N-(2-methyl-1-phenylpropylidene)carbamate
CID 142227662
(3R)-2-methyl-3-phenylbutanamide
CID 140836270
molecular hydrogen;(2S)-2-phenylpropanamide
CID 143947719
2-amino-2-phenylacetic acid;carbamic acid
CID 159174170
benzamide;2,3-dimethylbutane
CID 162214835
(1R)-1-phenylethanamine;propan-2-one
CID 54416751
(NZ)-N-[(2S)-1,2-diphenylpropylidene]hydroxylamine
CID 98569832
[(Z)-1,2,2-triphenylethylideneamino] acetate
CID 53467016
benzoic acid;diphenylmethanamine
CID 3075109
bis(carbamothioic S-acid);cumene
CID 87644989
2-amino-N-[amino(phenyl)methylidene]-2-phenylacetamide
CID 121264672

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1-phenylpropylidene)amino]-2-phenylacetamide?
The IUPAC name of 2-[(2-methyl-1-phenylpropylidene)amino]-2-phenylacetamide (CID 45140117) is 2-[(2-methyl-1-phenylpropylidene)amino]-2-phenylacetamide.
What is the SMILES notation for 2-[(2-methyl-1-phenylpropylidene)amino]-2-phenylacetamide?
The canonical SMILES for 2-[(2-methyl-1-phenylpropylidene)amino]-2-phenylacetamide is CC(C)/C(=N\C(C(N)=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(2-methyl-1-phenylpropylidene)amino]-2-phenylacetamide?
The InChIKey is BJXRYJQZXYULHL-CAPFRKAQSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13(2)16(14-9-5-3-6-10-14)20-17(18(19)21)15-11-7-4-8-12-15/h3-13,17H,1-2H3,(H2,19,21)/b20-16+.
What are the key properties of 2-[(2-methyl-1-phenylpropylidene)amino]-2-phenylacetamide?
2-[(2-methyl-1-phenylpropylidene)amino]-2-phenylacetamide has a molecular weight of 280.37 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1-phenylpropylidene)amino]-2-phenylacetamide is sourced from PubChem (CID 45140117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).