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

C27H31N3O3 — CID 54823853

IUPACN-ethyl-4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(NC(=O)CNc2ccccc2OCC(C)C)cc1)c1ccccc1
InChIInChI=1S/C27H31N3O3/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/h5-17,20,28H,4,18-19H2,1-3H3,(H,29,31)
InChIKeyMWGHMYTVLZISAL-UHFFFAOYSA-N
MW445.56 g/mol
LogP5.44
Rot. Bonds10

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

N-ethyl-4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide (PubChem CID 54823853) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-ethyl-4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide
PubChem CID54823853
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC NameN-ethyl-4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(NC(=O)CNc2ccccc2OCC(C)C)cc1)c1ccccc1
InChIInChI=1S/C27H31N3O3/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/h5-17,20,28H,4,18-19H2,1-3H3,(H,29,31)
InChIKeyMWGHMYTVLZISAL-UHFFFAOYSA-N
XLogP5.44
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.56
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-methylprop-2-enoxy)anilino]acetyl]amino]-N-phenylbenzamide
CID 54826157
N-[4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54823688
N-methyl-4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54823920
N-ethyl-3-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide
CID 54820208
N-ethyl-4-[[2-(4-methoxyanilino)acetyl]amino]-N-phenylbenzamide
CID 54812554
2-[2-(2-methylpropoxy)anilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 54824046
N-ethyl-4-[[2-(ethylamino)acetyl]amino]-N-phenylbenzamide
CID 54820940
N-ethyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]-N-phenylbenzamide
CID 54838593
N-ethyl-N-phenyl-4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54826705
4-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17229672
propyl 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzoate
CID 54812803

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide?
The IUPAC name of N-ethyl-4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide (CID 54823853) is N-ethyl-4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide.
What is the SMILES notation for N-ethyl-4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide?
The canonical SMILES for N-ethyl-4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide is CCN(C(=O)c1ccc(NC(=O)CNc2ccccc2OCC(C)C)cc1)c1ccccc1.
What is the InChIKey of N-ethyl-4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide?
The InChIKey is MWGHMYTVLZISAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/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/h5-17,20,28H,4,18-19H2,1-3H3,(H,29,31).
What are the key properties of N-ethyl-4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide?
N-ethyl-4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide has a molecular weight of 445.56 g/mol, XLogP of 5.44, 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-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 54823853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).