N-ethyl-3-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide

C27H31N3O3 — CID 54820208

IUPACN-ethyl-3-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide
SMILESCCN(C(=O)c1cccc(NC(=O)CNc2ccc(OCC(C)C)cc2)c1)c1ccccc1
InChIInChI=1S/C27H31N3O3/c1-4-30(24-11-6-5-7-12-24)27(32)21-9-8-10-23(17-21)29-26(31)18-28-22-13-15-25(16-14-22)33-19-20(2)3/h5-17,20,28H,4,18-19H2,1-3H3,(H,29,31)
InChIKeyRFZNUCDVDVCONU-UHFFFAOYSA-N
MW445.56 g/mol
LogP5.44
Rot. Bonds10

About N-ethyl-3-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide

N-ethyl-3-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide (PubChem CID 54820208) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-ethyl-3-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound NameN-ethyl-3-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide
PubChem CID54820208
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC NameN-ethyl-3-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide
SMILESCCN(C(=O)c1cccc(NC(=O)CNc2ccc(OCC(C)C)cc2)c1)c1ccccc1
InChIInChI=1S/C27H31N3O3/c1-4-30(24-11-6-5-7-12-24)27(32)21-9-8-10-23(17-21)29-26(31)18-28-22-13-15-25(16-14-22)33-19-20(2)3/h5-17,20,28H,4,18-19H2,1-3H3,(H,29,31)
InChIKeyRFZNUCDVDVCONU-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 54814231
N-ethyl-N-phenyl-3-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833237
3-[[2-[4-(dipropylcarbamoyl)anilino]acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54834886
N-ethyl-3-[[2-[3-[ethyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide
CID 54839058
N-ethyl-N-phenyl-3-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide
CID 54823205
N-ethyl-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838884
N,N-diethyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54822926
N-tert-butyl-3-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820244
2-anilino-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54810289
N-ethyl-4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide
CID 54823853
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide?
The IUPAC name of N-ethyl-3-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide (CID 54820208) is N-ethyl-3-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide.
What is the SMILES notation for N-ethyl-3-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide?
The canonical SMILES for N-ethyl-3-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide is CCN(C(=O)c1cccc(NC(=O)CNc2ccc(OCC(C)C)cc2)c1)c1ccccc1.
What is the InChIKey of N-ethyl-3-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide?
The InChIKey is RFZNUCDVDVCONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-4-30(24-11-6-5-7-12-24)27(32)21-9-8-10-23(17-21)29-26(31)18-28-22-13-15-25(16-14-22)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-3-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide?
N-ethyl-3-[[2-[4-(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-3-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 54820208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).