N-(9-ethylcarbazol-3-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide

C27H28N4O3 — CID 3107349

IUPACN-(9-ethylcarbazol-3-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CC(C)=NNC(=O)COc3ccccc3C)ccc21
InChIInChI=1S/C27H28N4O3/c1-4-31-23-11-7-6-10-21(23)22-16-20(13-14-24(22)31)28-26(32)15-19(3)29-30-27(33)17-34-25-12-8-5-9-18(25)2/h5-14,16H,4,15,17H2,1-3H3,(H,28,32)(H,30,33)
InChIKeyZQIQHRXWBBBOTF-UHFFFAOYSA-N
MW456.55 g/mol
LogP5.02
Rot. Bonds8

About N-(9-ethylcarbazol-3-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide

N-(9-ethylcarbazol-3-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide (PubChem CID 3107349) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide
PubChem CID3107349
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC NameN-(9-ethylcarbazol-3-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CC(C)=NNC(=O)COc3ccccc3C)ccc21
InChIInChI=1S/C27H28N4O3/c1-4-31-23-11-7-6-10-21(23)22-16-20(13-14-24(22)31)28-26(32)15-19(3)29-30-27(33)17-34-25-12-8-5-9-18(25)2/h5-14,16H,4,15,17H2,1-3H3,(H,28,32)(H,30,33)
InChIKeyZQIQHRXWBBBOTF-UHFFFAOYSA-N
XLogP5.02
TPSA84.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.55
LogP ≤ 55.02
H-Bond Donors ≤ 52
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

N-[(Z)-[4-[(9-ethylcarbazol-3-yl)amino]-4-oxobutan-2-ylidene]amino]-4-iodobenzamide
CID 6157977
N-(9-ethylcarbazol-3-yl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
CID 3107347
3-chloro-N-[[4-[(9-ethylcarbazol-3-yl)amino]-4-oxobutan-2-ylidene]amino]benzamide
CID 4526591
N-(1,3-benzodioxol-5-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide
CID 4282772
(3Z)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]-N-pyridin-3-ylbutanamide
CID 6069598
N-(9-ethylcarbazol-3-yl)-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
CID 20861837
N-(4-ethylphenyl)-3-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]butanamide
CID 5035424
N-(9-ethylcarbazol-3-yl)-2-naphthalen-2-yloxyacetamide
CID 3107361
N-(9-ethylcarbazol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 16796852
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(2-methylphenoxy)acetamide
CID 22577350
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 4-(4-chloro-2-methylphenoxy)butanoate
CID 2386650

Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide (CID 3107349) is N-(9-ethylcarbazol-3-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide is CCn1c2ccccc2c2cc(NC(=O)CC(C)=NNC(=O)COc3ccccc3C)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide?
The InChIKey is ZQIQHRXWBBBOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-4-31-23-11-7-6-10-21(23)22-16-20(13-14-24(22)31)28-26(32)15-19(3)29-30-27(33)17-34-25-12-8-5-9-18(25)2/h5-14,16H,4,15,17H2,1-3H3,(H,28,32)(H,30,33).
What are the key properties of N-(9-ethylcarbazol-3-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide?
N-(9-ethylcarbazol-3-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide has a molecular weight of 456.55 g/mol, XLogP of 5.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide is sourced from PubChem (CID 3107349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).