2-amino-3-methoxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide

C10H16N2O2S — CID 81081754

IUPAC2-amino-3-methoxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
SMILESCOCC(N)C(=O)N(C)Cc1cccs1
InChIInChI=1S/C10H16N2O2S/c1-12(6-8-4-3-5-15-8)10(13)9(11)7-14-2/h3-5,9H,6-7,11H2,1-2H3
InChIKeyGDEJUYAOFOADRT-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.68
Rot. Bonds5

About 2-amino-3-methoxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide

2-amino-3-methoxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 81081754) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
PubChem CID81081754
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-amino-3-methoxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
SMILESCOCC(N)C(=O)N(C)Cc1cccs1
InChIInChI=1S/C10H16N2O2S/c1-12(6-8-4-3-5-15-8)10(13)9(11)7-14-2/h3-5,9H,6-7,11H2,1-2H3
InChIKeyGDEJUYAOFOADRT-UHFFFAOYSA-N
XLogP0.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 120991220
(2R)-2-amino-N-methyl-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
CID 104906974
(2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 79011600
methyl 3-methyl-2-[methyl(thiophen-2-ylmethyl)carbamoyl]butanoate
CID 115188071
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxy-N-methylpropanamide
CID 81083115
2-amino-3-methoxy-N-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 81080970
6-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)heptanamide
CID 65292813
(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119271767
2-amino-N-[(2-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
CID 120983321
2-amino-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 54869709
(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119271759
methyl (2S)-2-amino-3-thiophen-2-ylpropanoate
CID 10899351

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 2-amino-3-methoxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide (CID 81081754) is 2-amino-3-methoxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide is COCC(N)C(=O)N(C)Cc1cccs1.
What is the InChIKey of 2-amino-3-methoxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is GDEJUYAOFOADRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-12(6-8-4-3-5-15-8)10(13)9(11)7-14-2/h3-5,9H,6-7,11H2,1-2H3.
What are the key properties of 2-amino-3-methoxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide?
2-amino-3-methoxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 228.32 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 81081754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).