N-[(E)-butan-2-ylideneamino]-4-(propanoylamino)benzamide

C14H19N3O2 — CID 40539272

IUPACN-[(E)-butan-2-ylideneamino]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)N/N=C(\C)CC)cc1
InChIInChI=1S/C14H19N3O2/c1-4-10(3)16-17-14(19)11-6-8-12(9-7-11)15-13(18)5-2/h6-9H,4-5H2,1-3H3,(H,15,18)(H,17,19)/b16-10+
InChIKeyFFKYYDLBJZWBBM-MHWRWJLKSA-N
MW261.32 g/mol
LogP2.55
Rot. Bonds5

About N-[(E)-butan-2-ylideneamino]-4-(propanoylamino)benzamide

N-[(E)-butan-2-ylideneamino]-4-(propanoylamino)benzamide (PubChem CID 40539272) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[(E)-butan-2-ylideneamino]-4-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[(E)-butan-2-ylideneamino]-4-(propanoylamino)benzamide
PubChem CID40539272
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[(E)-butan-2-ylideneamino]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)N/N=C(\C)CC)cc1
InChIInChI=1S/C14H19N3O2/c1-4-10(3)16-17-14(19)11-6-8-12(9-7-11)15-13(18)5-2/h6-9H,4-5H2,1-3H3,(H,15,18)(H,17,19)/b16-10+
InChIKeyFFKYYDLBJZWBBM-MHWRWJLKSA-N
XLogP2.55
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(E)-butan-2-ylideneamino]-4-(propanoylamino)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

4-acetamido-N-[[4-(4-acetamidoanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 5029798
4-amino-N-[(Z)-butan-2-ylideneamino]benzamide
CID 5399430
4-acetamido-N-[(Z)-hexan-2-ylideneamino]benzamide
CID 6134713
4-[[(3E)-3-[(4-acetamidobenzoyl)hydrazinylidene]butanoyl]amino]benzamide
CID 6186119
N-(cyclopentylideneamino)-4-(propanoylamino)benzamide
CID 910224
3,5-dimethoxy-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide
CID 1018787
N-[[4-(4-bromoanilino)-4-oxobutan-2-ylidene]amino]-4-chlorobenzamide
CID 3481558
4-(butanoylamino)-N-(1-cyclopropylethylideneamino)benzamide
CID 913667
N-[(E)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-4-(propanoylamino)benzamide
CID 93028204
N-[(E)-heptan-2-ylideneamino]-4-(2-methylpropanoylamino)benzamide
CID 54784755
4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062260
N'-[(Z)-butan-2-ylideneamino]-N-phenylbutanediamide
CID 5333667

Frequently Asked Questions

What is the IUPAC name of N-[(E)-butan-2-ylideneamino]-4-(propanoylamino)benzamide?
The IUPAC name of N-[(E)-butan-2-ylideneamino]-4-(propanoylamino)benzamide (CID 40539272) is N-[(E)-butan-2-ylideneamino]-4-(propanoylamino)benzamide.
What is the SMILES notation for N-[(E)-butan-2-ylideneamino]-4-(propanoylamino)benzamide?
The canonical SMILES for N-[(E)-butan-2-ylideneamino]-4-(propanoylamino)benzamide is CCC(=O)Nc1ccc(C(=O)N/N=C(\C)CC)cc1.
What is the InChIKey of N-[(E)-butan-2-ylideneamino]-4-(propanoylamino)benzamide?
The InChIKey is FFKYYDLBJZWBBM-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-10(3)16-17-14(19)11-6-8-12(9-7-11)15-13(18)5-2/h6-9H,4-5H2,1-3H3,(H,15,18)(H,17,19)/b16-10+.
What are the key properties of N-[(E)-butan-2-ylideneamino]-4-(propanoylamino)benzamide?
N-[(E)-butan-2-ylideneamino]-4-(propanoylamino)benzamide has a molecular weight of 261.32 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-butan-2-ylideneamino]-4-(propanoylamino)benzamide is sourced from PubChem (CID 40539272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).