N-ethyl-N-phenyl-4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide

C30H29N3O3 — CID 54826705

IUPACN-ethyl-N-phenyl-4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide
SMILESCCN(C(=O)c1ccc(NC(=O)CNc2cccc(OCc3ccccc3)c2)cc1)c1ccccc1
InChIInChI=1S/C30H29N3O3/c1-2-33(27-13-7-4-8-14-27)30(35)24-16-18-25(19-17-24)32-29(34)21-31-26-12-9-15-28(20-26)36-22-23-10-5-3-6-11-23/h3-20,31H,2,21-22H2,1H3,(H,32,34)
InChIKeyURKWHTKSSAADOR-UHFFFAOYSA-N
MW479.58 g/mol
LogP5.98
Rot. Bonds10

About N-ethyl-N-phenyl-4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide

N-ethyl-N-phenyl-4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide (PubChem CID 54826705) has the molecular formula C30H29N3O3 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-ethyl-N-phenyl-4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide
PubChem CID54826705
Molecular FormulaC30H29N3O3
Molecular Weight479.58 g/mol
Exact Mass479.22
IUPAC NameN-ethyl-N-phenyl-4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide
SMILESCCN(C(=O)c1ccc(NC(=O)CNc2cccc(OCc3ccccc3)c2)cc1)c1ccccc1
InChIInChI=1S/C30H29N3O3/c1-2-33(27-13-7-4-8-14-27)30(35)24-16-18-25(19-17-24)32-29(34)21-31-26-12-9-15-28(20-26)36-22-23-10-5-3-6-11-23/h3-20,31H,2,21-22H2,1H3,(H,32,34)
InChIKeyURKWHTKSSAADOR-UHFFFAOYSA-N
XLogP5.98
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-(3-phenylmethoxyanilino)acetyl]amino]phenyl]propanamide
CID 54826536
N-ethyl-N-phenyl-4-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833295
propyl 4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzoate
CID 54827051
N-ethyl-4-[[2-(4-methoxyanilino)acetyl]amino]-N-phenylbenzamide
CID 54812554
N-ethyl-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838884
N,N-diethyl-4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
CID 37221073
4-[[2-(3-butoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54824843
N-ethyl-3-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54826232
N-ethyl-2-(3-phenylmethoxyanilino)acetamide
CID 54826259
3-[[2-(3-phenylmethoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54826503
N-ethyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]-N-phenylbenzamide
CID 54838593
N-benzyl-4-[[2-oxo-2-(3-phenylmethoxyanilino)ethyl]amino]benzamide
CID 54843886

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide?
The IUPAC name of N-ethyl-N-phenyl-4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide (CID 54826705) is N-ethyl-N-phenyl-4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-ethyl-N-phenyl-4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide?
The canonical SMILES for N-ethyl-N-phenyl-4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide is CCN(C(=O)c1ccc(NC(=O)CNc2cccc(OCc3ccccc3)c2)cc1)c1ccccc1.
What is the InChIKey of N-ethyl-N-phenyl-4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide?
The InChIKey is URKWHTKSSAADOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O3/c1-2-33(27-13-7-4-8-14-27)30(35)24-16-18-25(19-17-24)32-29(34)21-31-26-12-9-15-28(20-26)36-22-23-10-5-3-6-11-23/h3-20,31H,2,21-22H2,1H3,(H,32,34).
What are the key properties of N-ethyl-N-phenyl-4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide?
N-ethyl-N-phenyl-4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide has a molecular weight of 479.58 g/mol, XLogP of 5.98, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54826705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).