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

C20H25N3O3 — CID 54845549

IUPAC3-[3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCOc1cccc(NC(=O)CNc2cccc(CCC(=O)N(C)C)c2)c1
InChIInChI=1S/C20H25N3O3/c1-23(2)20(25)11-10-15-6-4-7-16(12-15)21-14-19(24)22-17-8-5-9-18(13-17)26-3/h4-9,12-13,21H,10-11,14H2,1-3H3,(H,22,24)
InChIKeyYYJIVFSMPIQKLZ-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.77
Rot. Bonds8

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

3-[3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide (PubChem CID 54845549) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
PubChem CID54845549
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name3-[3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCOc1cccc(NC(=O)CNc2cccc(CCC(=O)N(C)C)c2)c1
InChIInChI=1S/C20H25N3O3/c1-23(2)20(25)11-10-15-6-4-7-16(12-15)21-14-19(24)22-17-8-5-9-18(13-17)26-3/h4-9,12-13,21H,10-11,14H2,1-3H3,(H,22,24)
InChIKeyYYJIVFSMPIQKLZ-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-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845774
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-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845622
3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide
CID 54842495
N-[3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54840675
3-[3-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845617
3-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54817351
N,N-dimethyl-3-[3-[[2-(4-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide
CID 54821485
N,N-dimethyl-3-[3-[[2-(2,4,6-trimethylanilino)acetyl]amino]phenyl]propanamide
CID 54812065
N,N-dimethyl-3-[3-[[2-[4-(2-methylprop-2-enoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54824486

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide (CID 54845549) is 3-[3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide is COc1cccc(NC(=O)CNc2cccc(CCC(=O)N(C)C)c2)c1.
What is the InChIKey of 3-[3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide?
The InChIKey is YYJIVFSMPIQKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-23(2)20(25)11-10-15-6-4-7-16(12-15)21-14-19(24)22-17-8-5-9-18(13-17)26-3/h4-9,12-13,21H,10-11,14H2,1-3H3,(H,22,24).
What are the key properties of 3-[3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide?
3-[3-[[2-(3-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-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 54845549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).