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

C20H25N3O3 — CID 54845563

IUPAC3-[4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCOc1ccccc1NC(=O)CNc1ccc(CCC(=O)N(C)C)cc1
InChIInChI=1S/C20H25N3O3/c1-23(2)20(25)13-10-15-8-11-16(12-9-15)21-14-19(24)22-17-6-4-5-7-18(17)26-3/h4-9,11-12,21H,10,13-14H2,1-3H3,(H,22,24)
InChIKeyUKXZYJLTQZCIQP-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.77
Rot. Bonds8

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

3-[4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide (PubChem CID 54845563) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
PubChem CID54845563
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name3-[4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCOc1ccccc1NC(=O)CNc1ccc(CCC(=O)N(C)C)cc1
InChIInChI=1S/C20H25N3O3/c1-23(2)20(25)13-10-15-8-11-16(12-9-15)21-14-19(24)22-17-6-4-5-7-18(17)26-3/h4-9,11-12,21H,10,13-14H2,1-3H3,(H,22,24)
InChIKeyUKXZYJLTQZCIQP-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

4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoic acid
CID 2329032
4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate
CID 2329031
N,N-dimethyl-3-[4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54845564
3-[4-[[2-(ethylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845823
N,N-dimethyl-3-[4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]propanamide
CID 54845496
3-(4-aminophenyl)-N-(2-methoxyphenyl)propanamide
CID 28713140
N-ethyl-3-(4-ethylphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide
CID 51184271
3-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54817351
3-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845631
3-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54814173
3-[4-[[2-(3-acetamidoanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54831723
3-[3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845549

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide (CID 54845563) is 3-[4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide is COc1ccccc1NC(=O)CNc1ccc(CCC(=O)N(C)C)cc1.
What is the InChIKey of 3-[4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide?
The InChIKey is UKXZYJLTQZCIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-23(2)20(25)13-10-15-8-11-16(12-9-15)21-14-19(24)22-17-6-4-5-7-18(17)26-3/h4-9,11-12,21H,10,13-14H2,1-3H3,(H,22,24).
What are the key properties of 3-[4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide?
3-[4-[[2-(2-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-[4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 54845563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).