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

C16H24N2O2 — CID 46760394

IUPACN-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2,2-dimethylpropanamide
SMILESCN(C)C(=O)CCc1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)15(20)17-13-9-6-12(7-10-13)8-11-14(19)18(4)5/h6-7,9-10H,8,11H2,1-5H3,(H,17,20)
InChIKeyPSUOOQDBBKKSIR-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.69
Rot. Bonds4

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

N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2,2-dimethylpropanamide (PubChem CID 46760394) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2,2-dimethylpropanamide
PubChem CID46760394
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2,2-dimethylpropanamide
SMILESCN(C)C(=O)CCc1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)15(20)17-13-9-6-12(7-10-13)8-11-14(19)18(4)5/h6-7,9-10H,8,11H2,1-5H3,(H,17,20)
InChIKeyPSUOOQDBBKKSIR-UHFFFAOYSA-N
XLogP2.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54844057
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-phenylpropanamide
CID 42643106
N-(4-butylphenyl)-2,2-dimethylpropanamide
CID 4601922
5-[4-(2,2-dimethylpropanoylamino)phenyl]pentanoic acid
CID 82260196
4-tert-butyl-N-[[4-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioyl]benzamide
CID 46760696
2,2-dimethyl-N-[4-(sulfanylmethyl)phenyl]propanamide
CID 176900093
N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide
CID 155301754
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2-methylbenzamide
CID 46760313
3-[4-[[2-(ethylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845823
3-[4-[[2-(3-acetamidoanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54831723
3-[4-[[2-[benzyl(methyl)amino]acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54811380
N,N-dimethyl-3-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]propanamide
CID 54815065

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2,2-dimethylpropanamide (CID 46760394) is N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2,2-dimethylpropanamide is CN(C)C(=O)CCc1ccc(NC(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is PSUOOQDBBKKSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)15(20)17-13-9-6-12(7-10-13)8-11-14(19)18(4)5/h6-7,9-10H,8,11H2,1-5H3,(H,17,20).
What are the key properties of N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2,2-dimethylpropanamide?
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 46760394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).