3,3-dimethoxy-2-methyl-2-(thiophen-2-ylmethylamino)propanamide

C11H18N2O3S — CID 66165551

IUPAC3,3-dimethoxy-2-methyl-2-(thiophen-2-ylmethylamino)propanamide
SMILESCOC(OC)C(C)(NCc1cccs1)C(N)=O
InChIInChI=1S/C11H18N2O3S/c1-11(9(12)14,10(15-2)16-3)13-7-8-5-4-6-17-8/h4-6,10,13H,7H2,1-3H3,(H2,12,14)
InChIKeyDTVZGHBNBVCMFD-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.70
Rot. Bonds7

About 3,3-dimethoxy-2-methyl-2-(thiophen-2-ylmethylamino)propanamide

3,3-dimethoxy-2-methyl-2-(thiophen-2-ylmethylamino)propanamide (PubChem CID 66165551) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 3,3-dimethoxy-2-methyl-2-(thiophen-2-ylmethylamino)propanamide.

Molecular Properties

Compound Name3,3-dimethoxy-2-methyl-2-(thiophen-2-ylmethylamino)propanamide
PubChem CID66165551
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name3,3-dimethoxy-2-methyl-2-(thiophen-2-ylmethylamino)propanamide
SMILESCOC(OC)C(C)(NCc1cccs1)C(N)=O
InChIInChI=1S/C11H18N2O3S/c1-11(9(12)14,10(15-2)16-3)13-7-8-5-4-6-17-8/h4-6,10,13H,7H2,1-3H3,(H2,12,14)
InChIKeyDTVZGHBNBVCMFD-UHFFFAOYSA-N
XLogP0.70
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2,3-dimethyl-2-(thiophen-2-ylmethylamino)butanoate
CID 62488456
2-methyl-2-(thiophen-2-ylmethylamino)propanoic acid
CID 61001579
N,N,2-trimethyl-2-(thiophen-2-ylmethylamino)propanamide
CID 115618443
methyl 2-phenyl-2-(thiophen-2-ylmethylamino)propanoate
CID 54895016
2-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)butanamide
CID 60991740
2-(3,4-difluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide
CID 60991456
methyl (2S)-2-amino-3-thiophen-2-ylpropanoate
CID 10899351
2-(3-fluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide
CID 54889525
ethyl 3,3,3-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)propanoate
CID 106523353
2-(2,4-difluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide
CID 60991594
4-methoxy-4-methyl-2-(thiophen-2-ylmethylamino)pentanoic acid
CID 106675991
2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol chloride
CID 53347623

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethoxy-2-methyl-2-(thiophen-2-ylmethylamino)propanamide?
The IUPAC name of 3,3-dimethoxy-2-methyl-2-(thiophen-2-ylmethylamino)propanamide (CID 66165551) is 3,3-dimethoxy-2-methyl-2-(thiophen-2-ylmethylamino)propanamide.
What is the SMILES notation for 3,3-dimethoxy-2-methyl-2-(thiophen-2-ylmethylamino)propanamide?
The canonical SMILES for 3,3-dimethoxy-2-methyl-2-(thiophen-2-ylmethylamino)propanamide is COC(OC)C(C)(NCc1cccs1)C(N)=O.
What is the InChIKey of 3,3-dimethoxy-2-methyl-2-(thiophen-2-ylmethylamino)propanamide?
The InChIKey is DTVZGHBNBVCMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-11(9(12)14,10(15-2)16-3)13-7-8-5-4-6-17-8/h4-6,10,13H,7H2,1-3H3,(H2,12,14).
What are the key properties of 3,3-dimethoxy-2-methyl-2-(thiophen-2-ylmethylamino)propanamide?
3,3-dimethoxy-2-methyl-2-(thiophen-2-ylmethylamino)propanamide has a molecular weight of 258.34 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxy-2-methyl-2-(thiophen-2-ylmethylamino)propanamide is sourced from PubChem (CID 66165551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).