N-[(Z)-N-amino-N-methylcarbamohydrazonoyl]-4-[(4-cyclohexyl-N-[(E)-3-(2-methylphenyl)prop-2-enoyl]anilino)methyl]benzamide

C32H38N6O2 — CID 142027346

IUPACN-[(Z)-N-amino-N-methylcarbamohydrazonoyl]-4-[(4-cyclohexyl-N-[(E)-3-(2-methylphenyl)prop-2-enoyl]anilino)methyl]benzamide
SMILESCc1ccccc1/C=C/C(=O)N(Cc1ccc(C(=O)N/C(=N/N)N(C)N)cc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C32H38N6O2/c1-23-8-6-7-9-25(23)18-21-30(39)38(29-19-16-27(17-20-29)26-10-4-3-5-11-26)22-24-12-14-28(15-13-24)31(40)35-32(36-33)37(2)34/h6-9,12-21,26H,3-5,10-11,22,33-34H2,1-2H3,(H,35,36,40)/b21-18+
InChIKeyCMRDIIUDUVTFIG-DYTRJAOYSA-N
MW538.70 g/mol
LogP5.05
Rot. Bonds7

About N-[(Z)-N-amino-N-methylcarbamohydrazonoyl]-4-[(4-cyclohexyl-N-[(E)-3-(2-methylphenyl)prop-2-enoyl]anilino)methyl]benzamide

N-[(Z)-N-amino-N-methylcarbamohydrazonoyl]-4-[(4-cyclohexyl-N-[(E)-3-(2-methylphenyl)prop-2-enoyl]anilino)methyl]benzamide (PubChem CID 142027346) has the molecular formula C32H38N6O2 and a molecular weight of 538.70 g/mol. Its IUPAC name is N-[(Z)-N-amino-N-methylcarbamohydrazonoyl]-4-[(4-cyclohexyl-N-[(E)-3-(2-methylphenyl)prop-2-enoyl]anilino)methyl]benzamide.

Molecular Properties

Compound NameN-[(Z)-N-amino-N-methylcarbamohydrazonoyl]-4-[(4-cyclohexyl-N-[(E)-3-(2-methylphenyl)prop-2-enoyl]anilino)methyl]benzamide
PubChem CID142027346
Molecular FormulaC32H38N6O2
Molecular Weight538.70 g/mol
Exact Mass538.31
IUPAC NameN-[(Z)-N-amino-N-methylcarbamohydrazonoyl]-4-[(4-cyclohexyl-N-[(E)-3-(2-methylphenyl)prop-2-enoyl]anilino)methyl]benzamide
SMILESCc1ccccc1/C=C/C(=O)N(Cc1ccc(C(=O)N/C(=N/N)N(C)N)cc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C32H38N6O2/c1-23-8-6-7-9-25(23)18-21-30(39)38(29-19-16-27(17-20-29)26-10-4-3-5-11-26)22-24-12-14-28(15-13-24)31(40)35-32(36-33)37(2)34/h6-9,12-21,26H,3-5,10-11,22,33-34H2,1-2H3,(H,35,36,40)/b21-18+
InChIKeyCMRDIIUDUVTFIG-DYTRJAOYSA-N
XLogP5.05
TPSA117.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.70
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-N-amino-N-methylcarbamohydrazonoyl]-4-[(4-cyclohexyl-N-[(E)-3-(2-methylphenyl)prop-2-enoyl]anilino)methyl]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-[[4-cyclohexyl-N-(3-naphthalen-1-ylprop-2-enoyl)anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 68908694
[N-[4-[(4-cyclohexyl-N-(4-cyclohexylbenzoyl)anilino)methyl]benzoyl]carbamohydrazonoyl]iminoazanium
CID 163818251
4-[[4-cyclohexyl-N-[3-(2,6-dichlorophenyl)prop-2-enoyl]anilino]methyl]-N-(didiazenylmethyl)benzamide
CID 90730367
4-[[4-cyclohexyl-N-[[2-(trifluoromethoxy)phenyl]carbamoyl]anilino]methyl]-N-(N-methyliminocarbamohydrazonoyl)benzamide
CID 173338096
4-[[4-cyclohexyl-N-(2-phenylethylcarbamoyl)anilino]methyl]-N-[N'-(methyldiazenyl)carbamimidoyl]benzamide
CID 173076089
4-[[N-[1-(4-bromophenyl)ethylcarbamoyl]-4-cyclohexylanilino]methyl]-N-(N-methyliminocarbamohydrazonoyl)benzamide
CID 173076099
4-benzyl-N-(4-cyclohexylphenyl)-N-[[4-(didiazenylmethylcarbamoyl)phenyl]methyl]benzamide
CID 91496280
4-[1-[(E)-2-(3-bromophenyl)prop-1-enyl]sulfanylethenyl-[(4-cyclohexylphenyl)methyl]amino]-N-(3-nitroso-3-oxopropyl)benzamide
CID 142846225
4-[[[(E)-3-(2-bromophenyl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide
CID 8967218
4-[[N-[2-(4-chlorophenoxy)propanoyl]-4-cyclohexylanilino]methyl]-N-(N-hydrazinylidenecarbamimidoyl)benzamide
CID 173338098
4-[[4-cyclohexyl-N-[[(1R)-1-phenylethyl]carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 68907342
4-[(4-cyclohexylphenyl)methyl-[(2R)-2-[methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-3-phenylmethoxypropanoyl]amino]-N-methylbenzamide
CID 161349066

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-N-amino-N-methylcarbamohydrazonoyl]-4-[(4-cyclohexyl-N-[(E)-3-(2-methylphenyl)prop-2-enoyl]anilino)methyl]benzamide?
The IUPAC name of N-[(Z)-N-amino-N-methylcarbamohydrazonoyl]-4-[(4-cyclohexyl-N-[(E)-3-(2-methylphenyl)prop-2-enoyl]anilino)methyl]benzamide (CID 142027346) is N-[(Z)-N-amino-N-methylcarbamohydrazonoyl]-4-[(4-cyclohexyl-N-[(E)-3-(2-methylphenyl)prop-2-enoyl]anilino)methyl]benzamide.
What is the SMILES notation for N-[(Z)-N-amino-N-methylcarbamohydrazonoyl]-4-[(4-cyclohexyl-N-[(E)-3-(2-methylphenyl)prop-2-enoyl]anilino)methyl]benzamide?
The canonical SMILES for N-[(Z)-N-amino-N-methylcarbamohydrazonoyl]-4-[(4-cyclohexyl-N-[(E)-3-(2-methylphenyl)prop-2-enoyl]anilino)methyl]benzamide is Cc1ccccc1/C=C/C(=O)N(Cc1ccc(C(=O)N/C(=N/N)N(C)N)cc1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-[(Z)-N-amino-N-methylcarbamohydrazonoyl]-4-[(4-cyclohexyl-N-[(E)-3-(2-methylphenyl)prop-2-enoyl]anilino)methyl]benzamide?
The InChIKey is CMRDIIUDUVTFIG-DYTRJAOYSA-N. The full InChI is InChI=1S/C32H38N6O2/c1-23-8-6-7-9-25(23)18-21-30(39)38(29-19-16-27(17-20-29)26-10-4-3-5-11-26)22-24-12-14-28(15-13-24)31(40)35-32(36-33)37(2)34/h6-9,12-21,26H,3-5,10-11,22,33-34H2,1-2H3,(H,35,36,40)/b21-18+.
What are the key properties of N-[(Z)-N-amino-N-methylcarbamohydrazonoyl]-4-[(4-cyclohexyl-N-[(E)-3-(2-methylphenyl)prop-2-enoyl]anilino)methyl]benzamide?
N-[(Z)-N-amino-N-methylcarbamohydrazonoyl]-4-[(4-cyclohexyl-N-[(E)-3-(2-methylphenyl)prop-2-enoyl]anilino)methyl]benzamide has a molecular weight of 538.70 g/mol, XLogP of 5.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-N-amino-N-methylcarbamohydrazonoyl]-4-[(4-cyclohexyl-N-[(E)-3-(2-methylphenyl)prop-2-enoyl]anilino)methyl]benzamide is sourced from PubChem (CID 142027346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).