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

C21H27N3O2 — CID 54811380

IUPAC3-[4-[[2-[benzyl(methyl)amino]acetyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCN(CC(=O)Nc1ccc(CCC(=O)N(C)C)cc1)Cc1ccccc1
InChIInChI=1S/C21H27N3O2/c1-23(2)21(26)14-11-17-9-12-19(13-10-17)22-20(25)16-24(3)15-18-7-5-4-6-8-18/h4-10,12-13H,11,14-16H2,1-3H3,(H,22,25)
InChIKeyJFDGUPNMQNACEA-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.78
Rot. Bonds8

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

3-[4-[[2-[benzyl(methyl)amino]acetyl]amino]phenyl]-N,N-dimethylpropanamide (PubChem CID 54811380) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-[4-[[2-[benzyl(methyl)amino]acetyl]amino]phenyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-[[2-[benzyl(methyl)amino]acetyl]amino]phenyl]-N,N-dimethylpropanamide
PubChem CID54811380
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name3-[4-[[2-[benzyl(methyl)amino]acetyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCN(CC(=O)Nc1ccc(CCC(=O)N(C)C)cc1)Cc1ccccc1
InChIInChI=1S/C21H27N3O2/c1-23(2)21(26)14-11-17-9-12-19(13-10-17)22-20(25)16-24(3)15-18-7-5-4-6-8-18/h4-10,12-13H,11,14-16H2,1-3H3,(H,22,25)
InChIKeyJFDGUPNMQNACEA-UHFFFAOYSA-N
XLogP2.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.78
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-(dimethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54844057
4-[[2-[benzyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide
CID 8900899
2-[benzyl(methyl)amino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 54809010
2-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]acetamide
CID 27133835
N-(4-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8785343
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 4781646
N-[4-[[2-(dimethylamino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839252
N-(4-aminophenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 65482728
N-(4-acetamidophenyl)-3-[benzyl(methyl)amino]propanamide
CID 109020641
N,N-dimethyl-3-[4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54845564
4-[[3-[[2-(4-benzylanilino)-2-oxoethyl]-methylamino]propyl-methylamino]methyl]benzoic acid
CID 44567704

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-[benzyl(methyl)amino]acetyl]amino]phenyl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[4-[[2-[benzyl(methyl)amino]acetyl]amino]phenyl]-N,N-dimethylpropanamide (CID 54811380) is 3-[4-[[2-[benzyl(methyl)amino]acetyl]amino]phenyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[4-[[2-[benzyl(methyl)amino]acetyl]amino]phenyl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[4-[[2-[benzyl(methyl)amino]acetyl]amino]phenyl]-N,N-dimethylpropanamide is CN(CC(=O)Nc1ccc(CCC(=O)N(C)C)cc1)Cc1ccccc1.
What is the InChIKey of 3-[4-[[2-[benzyl(methyl)amino]acetyl]amino]phenyl]-N,N-dimethylpropanamide?
The InChIKey is JFDGUPNMQNACEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-23(2)21(26)14-11-17-9-12-19(13-10-17)22-20(25)16-24(3)15-18-7-5-4-6-8-18/h4-10,12-13H,11,14-16H2,1-3H3,(H,22,25).
What are the key properties of 3-[4-[[2-[benzyl(methyl)amino]acetyl]amino]phenyl]-N,N-dimethylpropanamide?
3-[4-[[2-[benzyl(methyl)amino]acetyl]amino]phenyl]-N,N-dimethylpropanamide has a molecular weight of 353.47 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-[benzyl(methyl)amino]acetyl]amino]phenyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 54811380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).