N-[(Z)-(3,3-dimethyl-1-phenylbutylidene)amino]acetamide

C14H20N2O — CID 59351039

IUPACN-[(Z)-(3,3-dimethyl-1-phenylbutylidene)amino]acetamide
SMILESCC(=O)N/N=C(/CC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-11(17)15-16-13(10-14(2,3)4)12-8-6-5-7-9-12/h5-9H,10H2,1-4H3,(H,15,17)/b16-13-
InChIKeyZXWVLGGQOYUMIV-SSZFMOIBSA-N
MW232.33 g/mol
LogP2.96
Rot. Bonds3

About N-[(Z)-(3,3-dimethyl-1-phenylbutylidene)amino]acetamide

N-[(Z)-(3,3-dimethyl-1-phenylbutylidene)amino]acetamide (PubChem CID 59351039) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[(Z)-(3,3-dimethyl-1-phenylbutylidene)amino]acetamide.

Molecular Properties

Compound NameN-[(Z)-(3,3-dimethyl-1-phenylbutylidene)amino]acetamide
PubChem CID59351039
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[(Z)-(3,3-dimethyl-1-phenylbutylidene)amino]acetamide
SMILESCC(=O)N/N=C(/CC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-11(17)15-16-13(10-14(2,3)4)12-8-6-5-7-9-12/h5-9H,10H2,1-4H3,(H,15,17)/b16-13-
InChIKeyZXWVLGGQOYUMIV-SSZFMOIBSA-N
XLogP2.96
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.96
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'}

Analyze N-[(Z)-(3,3-dimethyl-1-phenylbutylidene)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-(1-oxo-1-phenylpropan-2-ylidene)amino]acetamide
CID 130341387
N-[(1-oxo-1-phenylpropan-2-ylidene)amino]acetamide
CID 152519841
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 135720029
[(E)-(3,3-dimethyl-1-phenylbutylidene)amino]methanamine
CID 122659058
(2E)-2-(acetylhydrazinylidene)-2-phenylacetate
CID 25141038
N'-(3,3-dimethylbutanoyl)benzohydrazide
CID 24654425
ethyl 2-(acetylhydrazinylidene)-2-phenylacetate
CID 90720670
3-phenyl-N-(1-phenylpropylideneamino)propanamide
CID 5163167
3-phenyl-N-[(Z)-1-phenylpropylideneamino]propanamide
CID 6288373
N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide
CID 6011612
2-phenyl-N-(1-phenylpropylideneamino)acetamide
CID 689855
N-(1-phenylpropylideneamino)pentanamide
CID 4996868

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,3-dimethyl-1-phenylbutylidene)amino]acetamide?
The IUPAC name of N-[(Z)-(3,3-dimethyl-1-phenylbutylidene)amino]acetamide (CID 59351039) is N-[(Z)-(3,3-dimethyl-1-phenylbutylidene)amino]acetamide.
What is the SMILES notation for N-[(Z)-(3,3-dimethyl-1-phenylbutylidene)amino]acetamide?
The canonical SMILES for N-[(Z)-(3,3-dimethyl-1-phenylbutylidene)amino]acetamide is CC(=O)N/N=C(/CC(C)(C)C)c1ccccc1.
What is the InChIKey of N-[(Z)-(3,3-dimethyl-1-phenylbutylidene)amino]acetamide?
The InChIKey is ZXWVLGGQOYUMIV-SSZFMOIBSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11(17)15-16-13(10-14(2,3)4)12-8-6-5-7-9-12/h5-9H,10H2,1-4H3,(H,15,17)/b16-13-.
What are the key properties of N-[(Z)-(3,3-dimethyl-1-phenylbutylidene)amino]acetamide?
N-[(Z)-(3,3-dimethyl-1-phenylbutylidene)amino]acetamide has a molecular weight of 232.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,3-dimethyl-1-phenylbutylidene)amino]acetamide is sourced from PubChem (CID 59351039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).