3-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide

C15H23N3O2 — CID 54844057

IUPAC3-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCN(C)CC(=O)Nc1ccc(CCC(=O)N(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-17(2)11-14(19)16-13-8-5-12(6-9-13)7-10-15(20)18(3)4/h5-6,8-9H,7,10-11H2,1-4H3,(H,16,19)
InChIKeyXYQROELOYOUGLH-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.21
Rot. Bonds6

About 3-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide

3-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide (PubChem CID 54844057) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
PubChem CID54844057
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCN(C)CC(=O)Nc1ccc(CCC(=O)N(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-17(2)11-14(19)16-13-8-5-12(6-9-13)7-10-15(20)18(3)4/h5-6,8-9H,7,10-11H2,1-4H3,(H,16,19)
InChIKeyXYQROELOYOUGLH-UHFFFAOYSA-N
XLogP1.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-phenylpropanamide
CID 42643106
3-[4-[[2-[benzyl(methyl)amino]acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54811380
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2,2-dimethylpropanamide
CID 46760394
N,N-dimethyl-3-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]propanamide
CID 54815065
3-[4-[[2-(3-acetamidoanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54831723
N-[2-(4-methoxyanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 7936687
3-[4-[[2-(ethylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845823
3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840700
N-[4-[[2-(dimethylamino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839252
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
N,N-dimethyl-3-[4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54845564
3-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 46760396

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide (CID 54844057) is 3-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide is CN(C)CC(=O)Nc1ccc(CCC(=O)N(C)C)cc1.
What is the InChIKey of 3-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide?
The InChIKey is XYQROELOYOUGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-17(2)11-14(19)16-13-8-5-12(6-9-13)7-10-15(20)18(3)4/h5-6,8-9H,7,10-11H2,1-4H3,(H,16,19).
What are the key properties of 3-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide?
3-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 54844057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).