N-ethyl-N-phenyl-3-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide

C26H29N3O2 — CID 54823205

IUPACN-ethyl-N-phenyl-3-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide
SMILESCCN(C(=O)c1cccc(NC(=O)CNc2ccccc2C(C)C)c1)c1ccccc1
InChIInChI=1S/C26H29N3O2/c1-4-29(22-13-6-5-7-14-22)26(31)20-11-10-12-21(17-20)28-25(30)18-27-24-16-9-8-15-23(24)19(2)3/h5-17,19,27H,4,18H2,1-3H3,(H,28,30)
InChIKeyUDOSCPQCDFIRJK-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.53
Rot. Bonds8

About N-ethyl-N-phenyl-3-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide

N-ethyl-N-phenyl-3-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide (PubChem CID 54823205) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-ethyl-N-phenyl-3-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-3-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide
PubChem CID54823205
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-ethyl-N-phenyl-3-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide
SMILESCCN(C(=O)c1cccc(NC(=O)CNc2ccccc2C(C)C)c1)c1ccccc1
InChIInChI=1S/C26H29N3O2/c1-4-29(22-13-6-5-7-14-22)26(31)20-11-10-12-21(17-20)28-25(30)18-27-24-16-9-8-15-23(24)19(2)3/h5-17,19,27H,4,18H2,1-3H3,(H,28,30)
InChIKeyUDOSCPQCDFIRJK-UHFFFAOYSA-N
XLogP5.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54815218
3-[[2-(2-propan-2-ylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54823564
N-ethyl-N-phenyl-3-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833237
N-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 54814231
N-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]benzamide
CID 54823438
N-ethyl-3-[[2-[3-[ethyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide
CID 54839058
3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
CID 54838651
N-ethyl-3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838962
N-ethyl-3-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide
CID 54820208
N-phenyl-2-(2-propan-2-ylanilino)acetamide
CID 7636862
3-acetamido-N-ethyl-N-phenylbenzamide
CID 17221925
3-[[2-[4-(dipropylcarbamoyl)anilino]acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54834886

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-3-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide?
The IUPAC name of N-ethyl-N-phenyl-3-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide (CID 54823205) is N-ethyl-N-phenyl-3-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-ethyl-N-phenyl-3-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide?
The canonical SMILES for N-ethyl-N-phenyl-3-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide is CCN(C(=O)c1cccc(NC(=O)CNc2ccccc2C(C)C)c1)c1ccccc1.
What is the InChIKey of N-ethyl-N-phenyl-3-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide?
The InChIKey is UDOSCPQCDFIRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-4-29(22-13-6-5-7-14-22)26(31)20-11-10-12-21(17-20)28-25(30)18-27-24-16-9-8-15-23(24)19(2)3/h5-17,19,27H,4,18H2,1-3H3,(H,28,30).
What are the key properties of N-ethyl-N-phenyl-3-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide?
N-ethyl-N-phenyl-3-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide has a molecular weight of 415.54 g/mol, XLogP of 5.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-3-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54823205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).