4-[[(3E)-3-[(4-acetamidobenzoyl)hydrazinylidene]butanoyl]amino]benzamide

C20H21N5O4 — CID 6186119

IUPAC4-[[(3E)-3-[(4-acetamidobenzoyl)hydrazinylidene]butanoyl]amino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C20H21N5O4/c1-12(11-18(27)23-17-7-3-14(4-8-17)19(21)28)24-25-20(29)15-5-9-16(10-6-15)22-13(2)26/h3-10H,11H2,1-2H3,(H2,21,28)(H,22,26)(H,23,27)(H,25,29)/b24-12+
InChIKeyXPOROOXAPXMJRF-WYMPLXKRSA-N
MW395.42 g/mol
LogP1.88
Rot. Bonds7

About 4-[[(3E)-3-[(4-acetamidobenzoyl)hydrazinylidene]butanoyl]amino]benzamide

4-[[(3E)-3-[(4-acetamidobenzoyl)hydrazinylidene]butanoyl]amino]benzamide (PubChem CID 6186119) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is 4-[[(3E)-3-[(4-acetamidobenzoyl)hydrazinylidene]butanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(3E)-3-[(4-acetamidobenzoyl)hydrazinylidene]butanoyl]amino]benzamide
PubChem CID6186119
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Name4-[[(3E)-3-[(4-acetamidobenzoyl)hydrazinylidene]butanoyl]amino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C20H21N5O4/c1-12(11-18(27)23-17-7-3-14(4-8-17)19(21)28)24-25-20(29)15-5-9-16(10-6-15)22-13(2)26/h3-10H,11H2,1-2H3,(H2,21,28)(H,22,26)(H,23,27)(H,25,29)/b24-12+
InChIKeyXPOROOXAPXMJRF-WYMPLXKRSA-N
XLogP1.88
TPSA142.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-acetamido-N-[[4-(4-acetamidoanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 5029798
N-[(Z)-[4-(4-carbamoylanilino)-4-oxobutan-2-ylidene]amino]-3-chloro-4-nitrobenzamide
CID 6154320
N-[[4-(4-bromoanilino)-4-oxobutan-2-ylidene]amino]-4-chlorobenzamide
CID 3481558
N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-methoxybenzamide
CID 6382258
4-acetamido-N-[(Z)-hexan-2-ylideneamino]benzamide
CID 6134713
4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide
CID 27648779
N-[(E)-butan-2-ylideneamino]-4-(propanoylamino)benzamide
CID 40539272
4-acetamido-N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]benzamide
CID 6088595
4-acetamido-N-[(E)-[4-(2,4-dichloroanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 43834230
(3E)-3-(carbamoylhydrazinylidene)-N-phenylbutanamide
CID 15855253
N-[(E)-[4-(4-bromoanilino)-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide
CID 6085415
4-acetamido-N-[[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]benzamide
CID 4534624

Frequently Asked Questions

What is the IUPAC name of 4-[[(3E)-3-[(4-acetamidobenzoyl)hydrazinylidene]butanoyl]amino]benzamide?
The IUPAC name of 4-[[(3E)-3-[(4-acetamidobenzoyl)hydrazinylidene]butanoyl]amino]benzamide (CID 6186119) is 4-[[(3E)-3-[(4-acetamidobenzoyl)hydrazinylidene]butanoyl]amino]benzamide.
What is the SMILES notation for 4-[[(3E)-3-[(4-acetamidobenzoyl)hydrazinylidene]butanoyl]amino]benzamide?
The canonical SMILES for 4-[[(3E)-3-[(4-acetamidobenzoyl)hydrazinylidene]butanoyl]amino]benzamide is CC(=O)Nc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[[(3E)-3-[(4-acetamidobenzoyl)hydrazinylidene]butanoyl]amino]benzamide?
The InChIKey is XPOROOXAPXMJRF-WYMPLXKRSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-12(11-18(27)23-17-7-3-14(4-8-17)19(21)28)24-25-20(29)15-5-9-16(10-6-15)22-13(2)26/h3-10H,11H2,1-2H3,(H2,21,28)(H,22,26)(H,23,27)(H,25,29)/b24-12+.
What are the key properties of 4-[[(3E)-3-[(4-acetamidobenzoyl)hydrazinylidene]butanoyl]amino]benzamide?
4-[[(3E)-3-[(4-acetamidobenzoyl)hydrazinylidene]butanoyl]amino]benzamide has a molecular weight of 395.42 g/mol, XLogP of 1.88, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3E)-3-[(4-acetamidobenzoyl)hydrazinylidene]butanoyl]amino]benzamide is sourced from PubChem (CID 6186119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).