3-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide

C20H25N3O3 — CID 54845774

IUPAC3-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCOc1ccc(NC(=O)CNc2cccc(CCC(=O)N(C)C)c2)cc1
InChIInChI=1S/C20H25N3O3/c1-23(2)20(25)12-7-15-5-4-6-17(13-15)21-14-19(24)22-16-8-10-18(26-3)11-9-16/h4-6,8-11,13,21H,7,12,14H2,1-3H3,(H,22,24)
InChIKeyBGGUHGOGEOVFSL-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.77
Rot. Bonds8

About 3-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide

3-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide (PubChem CID 54845774) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
PubChem CID54845774
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name3-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCOc1ccc(NC(=O)CNc2cccc(CCC(=O)N(C)C)c2)cc1
InChIInChI=1S/C20H25N3O3/c1-23(2)20(25)12-7-15-5-4-6-17(13-15)21-14-19(24)22-16-8-10-18(26-3)11-9-16/h4-6,8-11,13,21H,7,12,14H2,1-3H3,(H,22,24)
InChIKeyBGGUHGOGEOVFSL-UHFFFAOYSA-N
XLogP2.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845549
3-[3-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845617
N,N-dimethyl-3-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845622
3-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54814173
N,N-dimethyl-3-[3-[[2-(3-methylanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845579
N,N-dimethyl-3-[3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54845974
N,N-dimethyl-3-[3-[[2-(4-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide
CID 54821485
N,N-dimethyl-3-[3-[[2-[4-(2-methylprop-2-enoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54824486
propyl 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]benzoate
CID 54845872
3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide
CID 54842495
3-[4-[[2-(3-acetamidoanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54831723
N-[3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54840675

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide (CID 54845774) is 3-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide is COc1ccc(NC(=O)CNc2cccc(CCC(=O)N(C)C)c2)cc1.
What is the InChIKey of 3-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide?
The InChIKey is BGGUHGOGEOVFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-23(2)20(25)12-7-15-5-4-6-17(13-15)21-14-19(24)22-16-8-10-18(26-3)11-9-16/h4-6,8-11,13,21H,7,12,14H2,1-3H3,(H,22,24).
What are the key properties of 3-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide?
3-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide has a molecular weight of 355.44 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 54845774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).