2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide

C17H28N2O3S — CID 113067937

IUPAC2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCN(CCCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-17(2,3)16(20)18-12-14-19(23(4,21)22)13-8-11-15-9-6-5-7-10-15/h5-7,9-10H,8,11-14H2,1-4H3,(H,18,20)
InChIKeyWCQJBGHFSIUMIP-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.04
Rot. Bonds8

About 2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide

2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide (PubChem CID 113067937) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide
PubChem CID113067937
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCN(CCCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-17(2,3)16(20)18-12-14-19(23(4,21)22)13-8-11-15-9-6-5-7-10-15/h5-7,9-10H,8,11-14H2,1-4H3,(H,18,20)
InChIKeyWCQJBGHFSIUMIP-UHFFFAOYSA-N
XLogP2.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]acetamide
CID 113067963
N-benzyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140705
N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113069583
2-methyl-N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]benzamide
CID 113067498
3-[methylsulfonyl(3-phenylpropyl)amino]-N-prop-2-enylpropanamide
CID 113140690
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
CID 108960228
3-[methylsulfonyl(2-phenylethyl)amino]propanoic acid
CID 82326336
4-[3-(2,2-dimethylpropanoylamino)propyl]benzenesulfonyl chloride
CID 60906391
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-dimethylpropanamide
CID 61150790
2-[methylsulfonyl(3-phenylpropyl)amino]-N-propan-2-ylacetamide
CID 113152686
N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]oxolane-2-carboxamide
CID 113067492
N-cyclopropyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140689

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide (CID 113067937) is 2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide is CC(C)(C)C(=O)NCCN(CCCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide?
The InChIKey is WCQJBGHFSIUMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-17(2,3)16(20)18-12-14-19(23(4,21)22)13-8-11-15-9-6-5-7-10-15/h5-7,9-10H,8,11-14H2,1-4H3,(H,18,20).
What are the key properties of 2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide?
2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide has a molecular weight of 340.49 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide is sourced from PubChem (CID 113067937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).