3-[[2-(3-phenylmethoxyanilino)acetyl]amino]-N,N-dipropylbenzamide

C28H33N3O3 — CID 54826503

IUPAC3-[[2-(3-phenylmethoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)CNc2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C28H33N3O3/c1-3-16-31(17-4-2)28(33)23-12-8-14-25(18-23)30-27(32)20-29-24-13-9-15-26(19-24)34-21-22-10-6-5-7-11-22/h5-15,18-19,29H,3-4,16-17,20-21H2,1-2H3,(H,30,32)
InChIKeyUUXRXCPUADEPSN-UHFFFAOYSA-N
MW459.59 g/mol
LogP5.58
Rot. Bonds12

About 3-[[2-(3-phenylmethoxyanilino)acetyl]amino]-N,N-dipropylbenzamide

3-[[2-(3-phenylmethoxyanilino)acetyl]amino]-N,N-dipropylbenzamide (PubChem CID 54826503) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is 3-[[2-(3-phenylmethoxyanilino)acetyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name3-[[2-(3-phenylmethoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
PubChem CID54826503
Molecular FormulaC28H33N3O3
Molecular Weight459.59 g/mol
Exact Mass459.25
IUPAC Name3-[[2-(3-phenylmethoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)CNc2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C28H33N3O3/c1-3-16-31(17-4-2)28(33)23-12-8-14-25(18-23)30-27(32)20-29-24-13-9-15-26(19-24)34-21-22-10-6-5-7-11-22/h5-15,18-19,29H,3-4,16-17,20-21H2,1-2H3,(H,30,32)
InChIKeyUUXRXCPUADEPSN-UHFFFAOYSA-N
XLogP5.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841190
N-ethyl-3-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54826232
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832179
N-[4-[[2-(3-phenylmethoxyanilino)acetyl]amino]phenyl]propanamide
CID 54826536
3-[(2-phenoxyacetyl)amino]-N,N-dipropylbenzamide
CID 26162248
3-[[2-(4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841044
N-ethyl-2-(3-phenylmethoxyanilino)acetamide
CID 54826259
N-ethyl-N-phenyl-4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54826705
N-benzyl-3-[[2-(3-hexoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54841928
propyl 4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzoate
CID 54827051
3-[[2-(4-chloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54810385
3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840596

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-phenylmethoxyanilino)acetyl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 3-[[2-(3-phenylmethoxyanilino)acetyl]amino]-N,N-dipropylbenzamide (CID 54826503) is 3-[[2-(3-phenylmethoxyanilino)acetyl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 3-[[2-(3-phenylmethoxyanilino)acetyl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 3-[[2-(3-phenylmethoxyanilino)acetyl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cccc(NC(=O)CNc2cccc(OCc3ccccc3)c2)c1.
What is the InChIKey of 3-[[2-(3-phenylmethoxyanilino)acetyl]amino]-N,N-dipropylbenzamide?
The InChIKey is UUXRXCPUADEPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3/c1-3-16-31(17-4-2)28(33)23-12-8-14-25(18-23)30-27(32)20-29-24-13-9-15-26(19-24)34-21-22-10-6-5-7-11-22/h5-15,18-19,29H,3-4,16-17,20-21H2,1-2H3,(H,30,32).
What are the key properties of 3-[[2-(3-phenylmethoxyanilino)acetyl]amino]-N,N-dipropylbenzamide?
3-[[2-(3-phenylmethoxyanilino)acetyl]amino]-N,N-dipropylbenzamide has a molecular weight of 459.59 g/mol, XLogP of 5.58, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-phenylmethoxyanilino)acetyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 54826503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).