N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-(propanoylamino)benzamide

C25H24N4O2 — CID 1010292

IUPACN-[(9-ethylcarbazol-3-yl)methylideneamino]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)NN=Cc2ccc3c(c2)c2ccccc2n3CC)cc1
InChIInChI=1S/C25H24N4O2/c1-3-24(30)27-19-12-10-18(11-13-19)25(31)28-26-16-17-9-14-23-21(15-17)20-7-5-6-8-22(20)29(23)4-2/h5-16H,3-4H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyCZBIUXMMPCKXLX-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.93
Rot. Bonds6

About N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-(propanoylamino)benzamide

N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-(propanoylamino)benzamide (PubChem CID 1010292) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[(9-ethylcarbazol-3-yl)methylideneamino]-4-(propanoylamino)benzamide
PubChem CID1010292
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN-[(9-ethylcarbazol-3-yl)methylideneamino]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)NN=Cc2ccc3c(c2)c2ccccc2n3CC)cc1
InChIInChI=1S/C25H24N4O2/c1-3-24(30)27-19-12-10-18(11-13-19)25(31)28-26-16-17-9-14-23-21(15-17)20-7-5-6-8-22(20)29(23)4-2/h5-16H,3-4H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyCZBIUXMMPCKXLX-UHFFFAOYSA-N
XLogP4.93
TPSA75.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(9-ethylcarbazol-3-yl)methylideneamino]-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

N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide
CID 71554995
N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide
CID 78110173
4-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]benzamide
CID 4508320
N-[(9-ethylcarbazol-3-yl)methylideneamino]-3,5-dihydroxybenzamide
CID 1011382
1-[(Z)-(9-ethylcarbazol-3-yl)methylideneamino]-3-phenylurea
CID 5432015
N-[1-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobut-2-en-2-yl]benzamide
CID 92847405
3-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 5172724
N-[(Z)-[4-[(9-ethylcarbazol-3-yl)amino]-4-oxobutan-2-ylidene]amino]-4-iodobenzamide
CID 6157977
N-[(9-ethylcarbazol-3-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 3506862
N-[(E)-benzylideneamino]-4-(carbazol-9-ylmethyl)benzamide
CID 177459672
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide
CID 5432105
trans-(1S,2S)-N-[(Z)-(9-ethylcarbazol-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6577123

Frequently Asked Questions

What is the IUPAC name of N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-(propanoylamino)benzamide?
The IUPAC name of N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-(propanoylamino)benzamide (CID 1010292) is N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-(propanoylamino)benzamide.
What is the SMILES notation for N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-(propanoylamino)benzamide?
The canonical SMILES for N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-(propanoylamino)benzamide is CCC(=O)Nc1ccc(C(=O)NN=Cc2ccc3c(c2)c2ccccc2n3CC)cc1.
What is the InChIKey of N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-(propanoylamino)benzamide?
The InChIKey is CZBIUXMMPCKXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-3-24(30)27-19-12-10-18(11-13-19)25(31)28-26-16-17-9-14-23-21(15-17)20-7-5-6-8-22(20)29(23)4-2/h5-16H,3-4H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-(propanoylamino)benzamide?
N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-(propanoylamino)benzamide has a molecular weight of 412.49 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-(propanoylamino)benzamide is sourced from PubChem (CID 1010292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).