2-[[4-[(3E)-3-[(Z)-2-(cyclopropylamino)ethenyl]hexa-3,5-dien-1-ynyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide

C23H26N4O4 — CID 138715982

IUPAC2-[[4-[(3E)-3-[(Z)-2-(cyclopropylamino)ethenyl]hexa-3,5-dien-1-ynyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
SMILESC=C/C=C(C#Cc1ccc(C(=O)N(C)C(C(=O)NC)C(=O)NO)cc1)\C=C/NC1CC1
InChIInChI=1S/C23H26N4O4/c1-4-5-16(14-15-25-19-12-13-19)6-7-17-8-10-18(11-9-17)23(30)27(3)20(21(28)24-2)22(29)26-31/h4-5,8-11,14-15,19-20,25,31H,1,12-13H2,2-3H3,(H,24,28)(H,26,29)/b15-14-,16-5-
InChIKeyZRVBBOXAAREVLS-SGXXXJNJSA-N
MW422.49 g/mol
LogP1.11
Rot. Bonds8

About 2-[[4-[(3E)-3-[(Z)-2-(cyclopropylamino)ethenyl]hexa-3,5-dien-1-ynyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide

2-[[4-[(3E)-3-[(Z)-2-(cyclopropylamino)ethenyl]hexa-3,5-dien-1-ynyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide (PubChem CID 138715982) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-[[4-[(3E)-3-[(Z)-2-(cyclopropylamino)ethenyl]hexa-3,5-dien-1-ynyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide.

Molecular Properties

Compound Name2-[[4-[(3E)-3-[(Z)-2-(cyclopropylamino)ethenyl]hexa-3,5-dien-1-ynyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
PubChem CID138715982
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name2-[[4-[(3E)-3-[(Z)-2-(cyclopropylamino)ethenyl]hexa-3,5-dien-1-ynyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
SMILESC=C/C=C(C#Cc1ccc(C(=O)N(C)C(C(=O)NC)C(=O)NO)cc1)\C=C/NC1CC1
InChIInChI=1S/C23H26N4O4/c1-4-5-16(14-15-25-19-12-13-19)6-7-17-8-10-18(11-9-17)23(30)27(3)20(21(28)24-2)22(29)26-31/h4-5,8-11,14-15,19-20,25,31H,1,12-13H2,2-3H3,(H,24,28)(H,26,29)/b15-14-,16-5-
InChIKeyZRVBBOXAAREVLS-SGXXXJNJSA-N
XLogP1.11
TPSA110.77 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[[4-[(3E)-3-[(Z)-2-(cyclopropylamino)ethenyl]hexa-3,5-dien-1-ynyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide 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

2-[[4-(2-cyclopropylethynyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413640
2-[[4-[2-[4-[(cyclopentylamino)methyl]phenyl]ethynyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413183
N-hydroxy-2-[[4-(3-hydroxyprop-1-ynyl)benzoyl]-methylamino]-N'-methylpropanediamide
CID 130207847
2-[[4-[(E)-4-[4-[(cyclopropylamino)methyl]phenyl]but-3-en-1-ynyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 71598732
2-[[4-[2-[4-[[cyclohexyl(methyl)amino]methyl]phenyl]ethynyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413033
N-hydroxy-2-[[4-[4-(3-hydroxycyclobutyl)buta-1,3-diynyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 118659559
N-hydroxy-2-[[4-[4-(3-hydroxyprop-1-ynyl)phenyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 89413245
N-hydroxy-2-[[4-[2-[4-(2-hydroxyethyl)phenyl]ethynyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 148787720
N-hydroxy-2-[[4-[2-(6-methoxy-3-pyridinyl)ethynyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 89413478
2-[[4-[2-[4-[(3-cyclobutyloxyazetidin-1-yl)methyl]phenyl]ethynyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413088
methyl 2-[[4-[2-[4-[(cyclopropylamino)methyl]phenyl]ethynyl]benzoyl]-methylamino]-3-(methylamino)-3-oxopropanoate
CID 71268295
N-hydroxy-N'-methyl-2-[methyl-[4-(3-phenylprop-2-ynoxy)benzoyl]amino]propanediamide
CID 89413379

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(3E)-3-[(Z)-2-(cyclopropylamino)ethenyl]hexa-3,5-dien-1-ynyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide?
The IUPAC name of 2-[[4-[(3E)-3-[(Z)-2-(cyclopropylamino)ethenyl]hexa-3,5-dien-1-ynyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide (CID 138715982) is 2-[[4-[(3E)-3-[(Z)-2-(cyclopropylamino)ethenyl]hexa-3,5-dien-1-ynyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide.
What is the SMILES notation for 2-[[4-[(3E)-3-[(Z)-2-(cyclopropylamino)ethenyl]hexa-3,5-dien-1-ynyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide?
The canonical SMILES for 2-[[4-[(3E)-3-[(Z)-2-(cyclopropylamino)ethenyl]hexa-3,5-dien-1-ynyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide is C=C/C=C(C#Cc1ccc(C(=O)N(C)C(C(=O)NC)C(=O)NO)cc1)\C=C/NC1CC1.
What is the InChIKey of 2-[[4-[(3E)-3-[(Z)-2-(cyclopropylamino)ethenyl]hexa-3,5-dien-1-ynyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide?
The InChIKey is ZRVBBOXAAREVLS-SGXXXJNJSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-4-5-16(14-15-25-19-12-13-19)6-7-17-8-10-18(11-9-17)23(30)27(3)20(21(28)24-2)22(29)26-31/h4-5,8-11,14-15,19-20,25,31H,1,12-13H2,2-3H3,(H,24,28)(H,26,29)/b15-14-,16-5-.
What are the key properties of 2-[[4-[(3E)-3-[(Z)-2-(cyclopropylamino)ethenyl]hexa-3,5-dien-1-ynyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide?
2-[[4-[(3E)-3-[(Z)-2-(cyclopropylamino)ethenyl]hexa-3,5-dien-1-ynyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide has a molecular weight of 422.49 g/mol, XLogP of 1.11, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(3E)-3-[(Z)-2-(cyclopropylamino)ethenyl]hexa-3,5-dien-1-ynyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide is sourced from PubChem (CID 138715982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).