N-[1-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobut-2-en-2-yl]benzamide

C27H26N4O2 — CID 92847405

IUPACN-[1-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobut-2-en-2-yl]benzamide
SMILESCCn1c2ccccc2c2cc(/C=N\NC(=O)C(NC(=O)c3ccccc3)=C(C)C)ccc21
InChIInChI=1S/C27H26N4O2/c1-4-31-23-13-9-8-12-21(23)22-16-19(14-15-24(22)31)17-28-30-27(33)25(18(2)3)29-26(32)20-10-6-5-7-11-20/h5-17H,4H2,1-3H3,(H,29,32)(H,30,33)/b28-17-
InChIKeyBSABPMBVLDMYRU-QRQIAZFYSA-N
MW438.53 g/mol
LogP4.99
Rot. Bonds6

About N-[1-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobut-2-en-2-yl]benzamide

N-[1-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobut-2-en-2-yl]benzamide (PubChem CID 92847405) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[1-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobut-2-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobut-2-en-2-yl]benzamide
PubChem CID92847405
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC NameN-[1-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobut-2-en-2-yl]benzamide
SMILESCCn1c2ccccc2c2cc(/C=N\NC(=O)C(NC(=O)c3ccccc3)=C(C)C)ccc21
InChIInChI=1S/C27H26N4O2/c1-4-31-23-13-9-8-12-21(23)22-16-19(14-15-24(22)31)17-28-30-27(33)25(18(2)3)29-26(32)20-10-6-5-7-11-20/h5-17H,4H2,1-3H3,(H,29,32)(H,30,33)/b28-17-
InChIKeyBSABPMBVLDMYRU-QRQIAZFYSA-N
XLogP4.99
TPSA75.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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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-[(9-ethylcarbazol-3-yl)methylideneamino]-4-(propanoylamino)benzamide
CID 1010292
trans-(1S,2S)-N-[(Z)-(9-ethylcarbazol-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6577123
3-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 5172724
N-[1-[(2Z)-2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]-3-methyl-1-oxobut-2-en-2-yl]benzamide
CID 86771756
N-[(9-ethylcarbazol-3-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 3506862
N'-(anthracen-9-ylmethylideneamino)-N-(9-ethylcarbazol-3-yl)oxamide
CID 3382572
[[(1E,4E)-1,5-bis(9-ethylcarbazol-3-yl)penta-1,4-dien-3-ylidene]amino] benzoate
CID 156769873

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobut-2-en-2-yl]benzamide?
The IUPAC name of N-[1-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobut-2-en-2-yl]benzamide (CID 92847405) is N-[1-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobut-2-en-2-yl]benzamide.
What is the SMILES notation for N-[1-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobut-2-en-2-yl]benzamide?
The canonical SMILES for N-[1-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobut-2-en-2-yl]benzamide is CCn1c2ccccc2c2cc(/C=N\NC(=O)C(NC(=O)c3ccccc3)=C(C)C)ccc21.
What is the InChIKey of N-[1-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobut-2-en-2-yl]benzamide?
The InChIKey is BSABPMBVLDMYRU-QRQIAZFYSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-4-31-23-13-9-8-12-21(23)22-16-19(14-15-24(22)31)17-28-30-27(33)25(18(2)3)29-26(32)20-10-6-5-7-11-20/h5-17H,4H2,1-3H3,(H,29,32)(H,30,33)/b28-17-.
What are the key properties of N-[1-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobut-2-en-2-yl]benzamide?
N-[1-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobut-2-en-2-yl]benzamide has a molecular weight of 438.53 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobut-2-en-2-yl]benzamide is sourced from PubChem (CID 92847405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).