2,4-dimethyl-N-(pentan-3-ylideneamino)benzamide

C14H20N2O — CID 5131635

IUPAC2,4-dimethyl-N-(pentan-3-ylideneamino)benzamide
SMILESCCC(CC)=NNC(=O)c1ccc(C)cc1C
InChIInChI=1S/C14H20N2O/c1-5-12(6-2)15-16-14(17)13-8-7-10(3)9-11(13)4/h7-9H,5-6H2,1-4H3,(H,16,17)
InChIKeyCSWRCSIXNXVWJR-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.21
Rot. Bonds4

About 2,4-dimethyl-N-(pentan-3-ylideneamino)benzamide

2,4-dimethyl-N-(pentan-3-ylideneamino)benzamide (PubChem CID 5131635) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2,4-dimethyl-N-(pentan-3-ylideneamino)benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(pentan-3-ylideneamino)benzamide
PubChem CID5131635
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2,4-dimethyl-N-(pentan-3-ylideneamino)benzamide
SMILESCCC(CC)=NNC(=O)c1ccc(C)cc1C
InChIInChI=1S/C14H20N2O/c1-5-12(6-2)15-16-14(17)13-8-7-10(3)9-11(13)4/h7-9H,5-6H2,1-4H3,(H,16,17)
InChIKeyCSWRCSIXNXVWJR-UHFFFAOYSA-N
XLogP3.21
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.21
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 2,4-dimethyl-N-(pentan-3-ylideneamino)benzamide 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

2-chloro-N-(pentan-3-ylideneamino)benzamide
CID 4620662
2-bromo-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 3635531
4-amino-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide
CID 9070567
N-(pentan-3-ylideneamino)benzamide
CID 4611553
2-chloro-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4195749
4-(dimethylamino)-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide
CID 5411726
2,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 94665510
N-(3,5-dimethylphenyl)-2,4-dimethylbenzamide
CID 925377
N'-(2-bromo-4-fluorobenzoyl)-2,4-dimethylbenzohydrazide
CID 9276694
2-[(2,4-dimethylbenzoyl)amino]-2-methylbutanoic acid
CID 79793464
N-(2-ethylphenyl)-2,4-dimethylbenzamide
CID 953221
2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78785997

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(pentan-3-ylideneamino)benzamide?
The IUPAC name of 2,4-dimethyl-N-(pentan-3-ylideneamino)benzamide (CID 5131635) is 2,4-dimethyl-N-(pentan-3-ylideneamino)benzamide.
What is the SMILES notation for 2,4-dimethyl-N-(pentan-3-ylideneamino)benzamide?
The canonical SMILES for 2,4-dimethyl-N-(pentan-3-ylideneamino)benzamide is CCC(CC)=NNC(=O)c1ccc(C)cc1C.
What is the InChIKey of 2,4-dimethyl-N-(pentan-3-ylideneamino)benzamide?
The InChIKey is CSWRCSIXNXVWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-5-12(6-2)15-16-14(17)13-8-7-10(3)9-11(13)4/h7-9H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 2,4-dimethyl-N-(pentan-3-ylideneamino)benzamide?
2,4-dimethyl-N-(pentan-3-ylideneamino)benzamide has a molecular weight of 232.33 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(pentan-3-ylideneamino)benzamide is sourced from PubChem (CID 5131635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).