lithium [(3-methoxyphenyl)-[[(Z)-1-(3-methoxyphenyl)-5-oxo-5-phenyl-3-(propan-2-ylamino)pent-3-enylidene]amino]methylidene]azanide

C29H30LiN3O3 — CID 11754695

IUPAClithium [(3-methoxyphenyl)-[[(Z)-1-(3-methoxyphenyl)-5-oxo-5-phenyl-3-(propan-2-ylamino)pent-3-enylidene]amino]methylidene]azanide
SMILESCOc1cccc(C(=[N-])/N=C(/C/C(=C/C(=O)c2ccccc2)NC(C)C)c2cccc(OC)c2)c1.[Li+]
InChIInChI=1S/C29H30N3O3.Li/c1-20(2)31-24(19-28(33)21-10-6-5-7-11-21)18-27(22-12-8-14-25(16-22)34-3)32-29(30)23-13-9-15-26(17-23)35-4;/h5-17,19-20,31H,18H2,1-4H3;/q-1;+1/b24-19-,32-27-;
InChIKeyDAPWPSKVDONVAU-NHRRVDFBSA-N
MW475.52 g/mol
LogP2.67
Rot. Bonds10

About lithium [(3-methoxyphenyl)-[[(Z)-1-(3-methoxyphenyl)-5-oxo-5-phenyl-3-(propan-2-ylamino)pent-3-enylidene]amino]methylidene]azanide

lithium [(3-methoxyphenyl)-[[(Z)-1-(3-methoxyphenyl)-5-oxo-5-phenyl-3-(propan-2-ylamino)pent-3-enylidene]amino]methylidene]azanide (PubChem CID 11754695) has the molecular formula C29H30LiN3O3 and a molecular weight of 475.52 g/mol. Its IUPAC name is lithium [(3-methoxyphenyl)-[[(Z)-1-(3-methoxyphenyl)-5-oxo-5-phenyl-3-(propan-2-ylamino)pent-3-enylidene]amino]methylidene]azanide.

Molecular Properties

Compound Namelithium [(3-methoxyphenyl)-[[(Z)-1-(3-methoxyphenyl)-5-oxo-5-phenyl-3-(propan-2-ylamino)pent-3-enylidene]amino]methylidene]azanide
PubChem CID11754695
Molecular FormulaC29H30LiN3O3
Molecular Weight475.52 g/mol
Exact Mass475.24
IUPAC Namelithium [(3-methoxyphenyl)-[[(Z)-1-(3-methoxyphenyl)-5-oxo-5-phenyl-3-(propan-2-ylamino)pent-3-enylidene]amino]methylidene]azanide
SMILESCOc1cccc(C(=[N-])/N=C(/C/C(=C/C(=O)c2ccccc2)NC(C)C)c2cccc(OC)c2)c1.[Li+]
InChIInChI=1S/C29H30N3O3.Li/c1-20(2)31-24(19-28(33)21-10-6-5-7-11-21)18-27(22-12-8-14-25(16-22)34-3)32-29(30)23-13-9-15-26(17-23)35-4;/h5-17,19-20,31H,18H2,1-4H3;/q-1;+1/b24-19-,32-27-;
InChIKeyDAPWPSKVDONVAU-NHRRVDFBSA-N
XLogP2.67
TPSA82.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze lithium [(3-methoxyphenyl)-[[(Z)-1-(3-methoxyphenyl)-5-oxo-5-phenyl-3-(propan-2-ylamino)pent-3-enylidene]amino]methylidene]azanide 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

3-methoxy-N-[(Z)-1-(3-methoxyphenyl)-5-oxo-5-phenyl-3-(propan-2-ylamino)pent-3-enylidene]benzenecarboximidamide
CID 11754696
2-(3-methoxyphenyl)-2-oxo-N-propan-2-ylacetamide
CID 82114479
3-[(3-methoxybenzoyl)amino]butanoic acid
CID 43092439
(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid
CID 42254442
N'-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide
CID 9351520
5-(3-methoxyphenyl)-3-methyl-5-oxopentanoic acid
CID 2759683
3-(4-methoxyanilino)-1-phenylpent-2-en-1-one
CID 3777683
methyl 2-[(3-methoxybenzoyl)-propan-2-ylamino]acetate
CID 54941995
2-[[2-(3-methoxyphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 60681718
3-methoxy-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 40542957
3-methoxy-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide
CID 122195499
N-(4-hydroxybutan-2-yl)-3-methoxybenzamide
CID 81041104

Frequently Asked Questions

What is the IUPAC name of lithium [(3-methoxyphenyl)-[[(Z)-1-(3-methoxyphenyl)-5-oxo-5-phenyl-3-(propan-2-ylamino)pent-3-enylidene]amino]methylidene]azanide?
The IUPAC name of lithium [(3-methoxyphenyl)-[[(Z)-1-(3-methoxyphenyl)-5-oxo-5-phenyl-3-(propan-2-ylamino)pent-3-enylidene]amino]methylidene]azanide (CID 11754695) is lithium [(3-methoxyphenyl)-[[(Z)-1-(3-methoxyphenyl)-5-oxo-5-phenyl-3-(propan-2-ylamino)pent-3-enylidene]amino]methylidene]azanide.
What is the SMILES notation for lithium [(3-methoxyphenyl)-[[(Z)-1-(3-methoxyphenyl)-5-oxo-5-phenyl-3-(propan-2-ylamino)pent-3-enylidene]amino]methylidene]azanide?
The canonical SMILES for lithium [(3-methoxyphenyl)-[[(Z)-1-(3-methoxyphenyl)-5-oxo-5-phenyl-3-(propan-2-ylamino)pent-3-enylidene]amino]methylidene]azanide is COc1cccc(C(=[N-])/N=C(/C/C(=C/C(=O)c2ccccc2)NC(C)C)c2cccc(OC)c2)c1.[Li+].
What is the InChIKey of lithium [(3-methoxyphenyl)-[[(Z)-1-(3-methoxyphenyl)-5-oxo-5-phenyl-3-(propan-2-ylamino)pent-3-enylidene]amino]methylidene]azanide?
The InChIKey is DAPWPSKVDONVAU-NHRRVDFBSA-N. The full InChI is InChI=1S/C29H30N3O3.Li/c1-20(2)31-24(19-28(33)21-10-6-5-7-11-21)18-27(22-12-8-14-25(16-22)34-3)32-29(30)23-13-9-15-26(17-23)35-4;/h5-17,19-20,31H,18H2,1-4H3;/q-1;+1/b24-19-,32-27-;.
What are the key properties of lithium [(3-methoxyphenyl)-[[(Z)-1-(3-methoxyphenyl)-5-oxo-5-phenyl-3-(propan-2-ylamino)pent-3-enylidene]amino]methylidene]azanide?
lithium [(3-methoxyphenyl)-[[(Z)-1-(3-methoxyphenyl)-5-oxo-5-phenyl-3-(propan-2-ylamino)pent-3-enylidene]amino]methylidene]azanide has a molecular weight of 475.52 g/mol, XLogP of 2.67, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [(3-methoxyphenyl)-[[(Z)-1-(3-methoxyphenyl)-5-oxo-5-phenyl-3-(propan-2-ylamino)pent-3-enylidene]amino]methylidene]azanide is sourced from PubChem (CID 11754695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).