methyl (Z)-4-[N-butyl-4-[butyl-[(Z)-4-oxopent-2-enoyl]amino]anilino]-4-oxobut-2-enoate

C24H32N2O5 — CID 134486696

IUPACmethyl (Z)-4-[N-butyl-4-[butyl-[(Z)-4-oxopent-2-enoyl]amino]anilino]-4-oxobut-2-enoate
SMILESCCCCN(C(=O)/C=C\C(C)=O)c1ccc(N(CCCC)C(=O)/C=C\C(=O)OC)cc1
InChIInChI=1S/C24H32N2O5/c1-5-7-17-25(22(28)14-9-19(3)27)20-10-12-21(13-11-20)26(18-8-6-2)23(29)15-16-24(30)31-4/h9-16H,5-8,17-18H2,1-4H3/b14-9-,16-15-
InChIKeyTVLZOKDZTDJPOU-JWUKZIGWSA-N
MW428.53 g/mol
LogP3.83
Rot. Bonds12

About methyl (Z)-4-[N-butyl-4-[butyl-[(Z)-4-oxopent-2-enoyl]amino]anilino]-4-oxobut-2-enoate

methyl (Z)-4-[N-butyl-4-[butyl-[(Z)-4-oxopent-2-enoyl]amino]anilino]-4-oxobut-2-enoate (PubChem CID 134486696) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is methyl (Z)-4-[N-butyl-4-[butyl-[(Z)-4-oxopent-2-enoyl]amino]anilino]-4-oxobut-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-[N-butyl-4-[butyl-[(Z)-4-oxopent-2-enoyl]amino]anilino]-4-oxobut-2-enoate
PubChem CID134486696
Molecular FormulaC24H32N2O5
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC Namemethyl (Z)-4-[N-butyl-4-[butyl-[(Z)-4-oxopent-2-enoyl]amino]anilino]-4-oxobut-2-enoate
SMILESCCCCN(C(=O)/C=C\C(C)=O)c1ccc(N(CCCC)C(=O)/C=C\C(=O)OC)cc1
InChIInChI=1S/C24H32N2O5/c1-5-7-17-25(22(28)14-9-19(3)27)20-10-12-21(13-11-20)26(18-8-6-2)23(29)15-16-24(30)31-4/h9-16H,5-8,17-18H2,1-4H3/b14-9-,16-15-
InChIKeyTVLZOKDZTDJPOU-JWUKZIGWSA-N
XLogP3.83
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (Z)-4-[N-butyl-4-[butyl-[(Z)-4-oxopent-2-enoyl]amino]anilino]-4-oxobut-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-4-[N-butyl-4-[butyl-[(Z)-4-oxopent-2-enoyl]amino]anilino]-4-oxobut-2-enoate?
The IUPAC name of methyl (Z)-4-[N-butyl-4-[butyl-[(Z)-4-oxopent-2-enoyl]amino]anilino]-4-oxobut-2-enoate (CID 134486696) is methyl (Z)-4-[N-butyl-4-[butyl-[(Z)-4-oxopent-2-enoyl]amino]anilino]-4-oxobut-2-enoate.
What is the SMILES notation for methyl (Z)-4-[N-butyl-4-[butyl-[(Z)-4-oxopent-2-enoyl]amino]anilino]-4-oxobut-2-enoate?
The canonical SMILES for methyl (Z)-4-[N-butyl-4-[butyl-[(Z)-4-oxopent-2-enoyl]amino]anilino]-4-oxobut-2-enoate is CCCCN(C(=O)/C=C\C(C)=O)c1ccc(N(CCCC)C(=O)/C=C\C(=O)OC)cc1.
What is the InChIKey of methyl (Z)-4-[N-butyl-4-[butyl-[(Z)-4-oxopent-2-enoyl]amino]anilino]-4-oxobut-2-enoate?
The InChIKey is TVLZOKDZTDJPOU-JWUKZIGWSA-N. The full InChI is InChI=1S/C24H32N2O5/c1-5-7-17-25(22(28)14-9-19(3)27)20-10-12-21(13-11-20)26(18-8-6-2)23(29)15-16-24(30)31-4/h9-16H,5-8,17-18H2,1-4H3/b14-9-,16-15-.
What are the key properties of methyl (Z)-4-[N-butyl-4-[butyl-[(Z)-4-oxopent-2-enoyl]amino]anilino]-4-oxobut-2-enoate?
methyl (Z)-4-[N-butyl-4-[butyl-[(Z)-4-oxopent-2-enoyl]amino]anilino]-4-oxobut-2-enoate has a molecular weight of 428.53 g/mol, XLogP of 3.83, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-[N-butyl-4-[butyl-[(Z)-4-oxopent-2-enoyl]amino]anilino]-4-oxobut-2-enoate is sourced from PubChem (CID 134486696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).