2-[4-[bis(4-methylbenzoyl)amino]phenyl]ethyl prop-2-enoate

C27H25NO4 — CID 22374556

IUPAC2-[4-[bis(4-methylbenzoyl)amino]phenyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1ccc(N(C(=O)c2ccc(C)cc2)C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H25NO4/c1-4-25(29)32-18-17-21-9-15-24(16-10-21)28(26(30)22-11-5-19(2)6-12-22)27(31)23-13-7-20(3)8-14-23/h4-16H,1,17-18H2,2-3H3
InChIKeyNTIIMDQFDMHMNN-UHFFFAOYSA-N
MW427.50 g/mol
LogP5.06
Rot. Bonds7

About 2-[4-[bis(4-methylbenzoyl)amino]phenyl]ethyl prop-2-enoate

2-[4-[bis(4-methylbenzoyl)amino]phenyl]ethyl prop-2-enoate (PubChem CID 22374556) has the molecular formula C27H25NO4 and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-[4-[bis(4-methylbenzoyl)amino]phenyl]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[4-[bis(4-methylbenzoyl)amino]phenyl]ethyl prop-2-enoate
PubChem CID22374556
Molecular FormulaC27H25NO4
Molecular Weight427.50 g/mol
Exact Mass427.18
IUPAC Name2-[4-[bis(4-methylbenzoyl)amino]phenyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1ccc(N(C(=O)c2ccc(C)cc2)C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H25NO4/c1-4-25(29)32-18-17-21-9-15-24(16-10-21)28(26(30)22-11-5-19(2)6-12-22)27(31)23-13-7-20(3)8-14-23/h4-16H,1,17-18H2,2-3H3
InChIKeyNTIIMDQFDMHMNN-UHFFFAOYSA-N
XLogP5.06
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[bis(4-methylbenzoyl)amino]phenyl]ethyl prop-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

Related Compounds

2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788
2-[4-(diethylamino)phenyl]ethyl prop-2-enoate
CID 68773183
3-[3-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethyl]-5-(3-prop-2-enoyloxypropyl)phenyl]propyl prop-2-enoate
CID 58876614
2-[4-methyl-N-(2-prop-2-enoyloxyethyl)anilino]ethyl prop-2-enoate
CID 59017027
2-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethyl]phenyl]ethyl prop-2-enoate
CID 59399913
2-(4-ethenylphenyl)ethyl prop-2-enoate
CID 163299720
2-[4-(N-(3,4-dimethylphenyl)-4-phenylanilino)phenyl]ethyl prop-2-enoate
CID 170007474
2-[4-[[[3-[[[4-(2-prop-2-enoyloxyethyl)phenyl]-propylcarbamoyl]-propylamino]phenyl]-propylcarbamoyl]-propylamino]phenyl]ethyl prop-2-enoate
CID 89252382
[4-(2-prop-2-enoyloxyethyl)phenyl] 4-methoxybenzoate
CID 145097179
2-[4-[N-(4-prop-2-enoyloxyphenyl)-4-[4-(N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]anilino]phenyl]ethyl prop-2-enoate
CID 22089877
carbanide;2-(4-methanidylphenyl)ethyl prop-2-enoate;yttrium
CID 58731460
2-(4-benzylphenyl)ethyl prop-2-enoate
CID 18316835

Frequently Asked Questions

What is the IUPAC name of 2-[4-[bis(4-methylbenzoyl)amino]phenyl]ethyl prop-2-enoate?
The IUPAC name of 2-[4-[bis(4-methylbenzoyl)amino]phenyl]ethyl prop-2-enoate (CID 22374556) is 2-[4-[bis(4-methylbenzoyl)amino]phenyl]ethyl prop-2-enoate.
What is the SMILES notation for 2-[4-[bis(4-methylbenzoyl)amino]phenyl]ethyl prop-2-enoate?
The canonical SMILES for 2-[4-[bis(4-methylbenzoyl)amino]phenyl]ethyl prop-2-enoate is C=CC(=O)OCCc1ccc(N(C(=O)c2ccc(C)cc2)C(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-[4-[bis(4-methylbenzoyl)amino]phenyl]ethyl prop-2-enoate?
The InChIKey is NTIIMDQFDMHMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO4/c1-4-25(29)32-18-17-21-9-15-24(16-10-21)28(26(30)22-11-5-19(2)6-12-22)27(31)23-13-7-20(3)8-14-23/h4-16H,1,17-18H2,2-3H3.
What are the key properties of 2-[4-[bis(4-methylbenzoyl)amino]phenyl]ethyl prop-2-enoate?
2-[4-[bis(4-methylbenzoyl)amino]phenyl]ethyl prop-2-enoate has a molecular weight of 427.50 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[bis(4-methylbenzoyl)amino]phenyl]ethyl prop-2-enoate is sourced from PubChem (CID 22374556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).