4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N,N-dipropylbenzamide

C28H33N3O3 — CID 54832179

IUPAC4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C28H33N3O3/c1-3-18-31(19-4-2)28(33)23-10-12-24(13-11-23)29-20-27(32)30-25-14-16-26(17-15-25)34-21-22-8-6-5-7-9-22/h5-17,29H,3-4,18-21H2,1-2H3,(H,30,32)
InChIKeyKTMNFXCTHZIIRT-UHFFFAOYSA-N
MW459.59 g/mol
LogP5.58
Rot. Bonds12

About 4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N,N-dipropylbenzamide

4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N,N-dipropylbenzamide (PubChem CID 54832179) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is 4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N,N-dipropylbenzamide
PubChem CID54832179
Molecular FormulaC28H33N3O3
Molecular Weight459.59 g/mol
Exact Mass459.25
IUPAC Name4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C28H33N3O3/c1-3-18-31(19-4-2)28(33)23-10-12-24(13-11-23)29-20-27(32)30-25-14-16-26(17-15-25)34-21-22-8-6-5-7-9-22/h5-17,29H,3-4,18-21H2,1-2H3,(H,30,32)
InChIKeyKTMNFXCTHZIIRT-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

N,N-diethyl-4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
CID 37221073
4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832147
N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide
CID 54821938
4-[[2-(4-hexoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820826
4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832146
2-[4-(dimethylamino)anilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 109010303
propyl 4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzoate
CID 54822023
3-[[2-(3-phenylmethoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54826503
4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54813932
methyl 4-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54816864
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-propan-2-ylbenzamide
CID 54840386
4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832241

Frequently Asked Questions

What is the IUPAC name of 4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N,N-dipropylbenzamide (CID 54832179) is 4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(NCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N,N-dipropylbenzamide?
The InChIKey is KTMNFXCTHZIIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3/c1-3-18-31(19-4-2)28(33)23-10-12-24(13-11-23)29-20-27(32)30-25-14-16-26(17-15-25)34-21-22-8-6-5-7-9-22/h5-17,29H,3-4,18-21H2,1-2H3,(H,30,32).
What are the key properties of 4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N,N-dipropylbenzamide?
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]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 4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 54832179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).