N-ethyl-4-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-phenylbenzamide

C27H29N3O3 — CID 54826157

IUPACN-ethyl-4-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-phenylbenzamide
SMILESC=C(C)COc1ccccc1NCC(=O)Nc1ccc(C(=O)N(CC)c2ccccc2)cc1
InChIInChI=1S/C27H29N3O3/c1-4-30(23-10-6-5-7-11-23)27(32)21-14-16-22(17-15-21)29-26(31)18-28-24-12-8-9-13-25(24)33-19-20(2)3/h5-17,28H,2,4,18-19H2,1,3H3,(H,29,31)
InChIKeyDSOTUYKKQDONIS-UHFFFAOYSA-N
MW443.55 g/mol
LogP5.36
Rot. Bonds10

About N-ethyl-4-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-phenylbenzamide

N-ethyl-4-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-phenylbenzamide (PubChem CID 54826157) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-ethyl-4-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-phenylbenzamide
PubChem CID54826157
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC NameN-ethyl-4-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-phenylbenzamide
SMILESC=C(C)COc1ccccc1NCC(=O)Nc1ccc(C(=O)N(CC)c2ccccc2)cc1
InChIInChI=1S/C27H29N3O3/c1-4-30(23-10-6-5-7-11-23)27(32)21-14-16-22(17-15-21)29-26(31)18-28-24-12-8-9-13-25(24)33-19-20(2)3/h5-17,28H,2,4,18-19H2,1,3H3,(H,29,31)
InChIKeyDSOTUYKKQDONIS-UHFFFAOYSA-N
XLogP5.36
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-phenyl-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824329
N-ethyl-4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide
CID 54823853
N-ethyl-2-[2-(2-methylprop-2-enoxy)anilino]-N-phenylacetamide
CID 54826257
N-methyl-3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-phenylbenzamide
CID 54826156
N-[4-[acetyl(methyl)amino]phenyl]-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825984
4-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17229672
2-(2-ethoxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54817171
N-ethyl-4-[[2-(4-methoxyanilino)acetyl]amino]-N-phenylbenzamide
CID 54812554
N-ethyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]-N-phenylbenzamide
CID 54838593
N-(3,4-dimethylphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825918
N,N-diethyl-4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54826939
2-[2-(2-methylprop-2-enoxy)anilino]-N-(4-prop-2-enoxyphenyl)acetamide
CID 54825856

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-phenylbenzamide?
The IUPAC name of N-ethyl-4-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-phenylbenzamide (CID 54826157) is N-ethyl-4-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-phenylbenzamide.
What is the SMILES notation for N-ethyl-4-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-phenylbenzamide?
The canonical SMILES for N-ethyl-4-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-phenylbenzamide is C=C(C)COc1ccccc1NCC(=O)Nc1ccc(C(=O)N(CC)c2ccccc2)cc1.
What is the InChIKey of N-ethyl-4-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-phenylbenzamide?
The InChIKey is DSOTUYKKQDONIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-4-30(23-10-6-5-7-11-23)27(32)21-14-16-22(17-15-21)29-26(31)18-28-24-12-8-9-13-25(24)33-19-20(2)3/h5-17,28H,2,4,18-19H2,1,3H3,(H,29,31).
What are the key properties of N-ethyl-4-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-phenylbenzamide?
N-ethyl-4-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-phenylbenzamide has a molecular weight of 443.55 g/mol, XLogP of 5.36, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 54826157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).