3-[4-(dimethylamino)phenyl]-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide

C16H24N2O3S — CID 99932600

IUPAC3-[4-(dimethylamino)phenyl]-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide
SMILESCN(C)c1ccc(CCC(=O)NC[C@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C16H24N2O3S/c1-18(2)15-6-3-13(4-7-15)5-8-16(19)17-11-14-9-10-22(20,21)12-14/h3-4,6-7,14H,5,8-12H2,1-2H3,(H,17,19)/t14-/m1/s1
InChIKeyCOUAYHJPDZYDPT-CQSZACIVSA-N
MW324.45 g/mol
LogP1.24
Rot. Bonds6

About 3-[4-(dimethylamino)phenyl]-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide

3-[4-(dimethylamino)phenyl]-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide (PubChem CID 99932600) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide
PubChem CID99932600
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name3-[4-(dimethylamino)phenyl]-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide
SMILESCN(C)c1ccc(CCC(=O)NC[C@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C16H24N2O3S/c1-18(2)15-6-3-13(4-7-15)5-8-16(19)17-11-14-9-10-22(20,21)12-14/h3-4,6-7,14H,5,8-12H2,1-2H3,(H,17,19)/t14-/m1/s1
InChIKeyCOUAYHJPDZYDPT-CQSZACIVSA-N
XLogP1.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 3-[4-(dimethylamino)phenyl]-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide 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

N-[(1,1-dioxothiolan-3-yl)methyl]-3-(4-sulfamoylphenyl)propanamide
CID 47023694
N-[[4-(dimethylamino)phenyl]methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 9305719
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(N-methylanilino)acetamide
CID 94216251
3-(2-bromophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]propanamide
CID 47282656
(E)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3-methyl-5-phenylpent-2-enamide
CID 95287712
2-[4-(aminomethyl)phenyl]-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
CID 63590687
N-[(1,1-dioxothiolan-3-yl)methyl]-3-(2-methoxyphenoxy)propanamide
CID 71898156
3-[4-(dimethylamino)phenyl]-N-(1-methylpyrrolidin-3-yl)propanamide
CID 110473838
2-(4-carbamothioylphenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
CID 63612862
3-[3-[4-(dimethylamino)phenyl]propanoylamino]propanoic acid
CID 43354679
N-(2-amino-2-oxoethyl)-3-[4-(dimethylamino)phenyl]propanamide
CID 60717379
N-[(1,1-dioxothiolan-3-yl)methyl]-5-hydroxypentanamide
CID 79210223

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide (CID 99932600) is 3-[4-(dimethylamino)phenyl]-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide is CN(C)c1ccc(CCC(=O)NC[C@H]2CCS(=O)(=O)C2)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide?
The InChIKey is COUAYHJPDZYDPT-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-18(2)15-6-3-13(4-7-15)5-8-16(19)17-11-14-9-10-22(20,21)12-14/h3-4,6-7,14H,5,8-12H2,1-2H3,(H,17,19)/t14-/m1/s1.
What are the key properties of 3-[4-(dimethylamino)phenyl]-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide?
3-[4-(dimethylamino)phenyl]-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide has a molecular weight of 324.45 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide is sourced from PubChem (CID 99932600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).