3-(4-aminophenoxy)-N-methyl-N-(thiophen-3-ylmethyl)propanamide

C15H18N2O2S — CID 61093832

IUPAC3-(4-aminophenoxy)-N-methyl-N-(thiophen-3-ylmethyl)propanamide
SMILESCN(Cc1ccsc1)C(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C15H18N2O2S/c1-17(10-12-7-9-20-11-12)15(18)6-8-19-14-4-2-13(16)3-5-14/h2-5,7,9,11H,6,8,10,16H2,1H3
InChIKeyZFMOYGPTVSSOGL-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.76
Rot. Bonds6

About 3-(4-aminophenoxy)-N-methyl-N-(thiophen-3-ylmethyl)propanamide

3-(4-aminophenoxy)-N-methyl-N-(thiophen-3-ylmethyl)propanamide (PubChem CID 61093832) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-N-methyl-N-(thiophen-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-N-methyl-N-(thiophen-3-ylmethyl)propanamide
PubChem CID61093832
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name3-(4-aminophenoxy)-N-methyl-N-(thiophen-3-ylmethyl)propanamide
SMILESCN(Cc1ccsc1)C(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C15H18N2O2S/c1-17(10-12-7-9-20-11-12)15(18)6-8-19-14-4-2-13(16)3-5-14/h2-5,7,9,11H,6,8,10,16H2,1H3
InChIKeyZFMOYGPTVSSOGL-UHFFFAOYSA-N
XLogP2.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenyl)-N-methyl-N-(thiophen-3-ylmethyl)propanamide
CID 54905173
3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide
CID 61089874
3-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61127921
3-(4-aminophenoxy)-N-methyl-N-(2-methylprop-2-enyl)propanamide
CID 113498542
3-(4-aminophenoxy)-N-[3-(dimethylamino)propyl]-N-methylpropanamide
CID 63694079
4-(2-amino-2-oxoethoxy)-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 18117382
N-[(4-aminophenyl)methyl]-3-ethoxy-N-methylpropanamide
CID 62589156
2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61328793
3-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 60986769
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 18205626
3-(4-aminophenoxy)-N,N-bis(prop-2-enyl)propanamide
CID 61117568
2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 60685569

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-N-methyl-N-(thiophen-3-ylmethyl)propanamide?
The IUPAC name of 3-(4-aminophenoxy)-N-methyl-N-(thiophen-3-ylmethyl)propanamide (CID 61093832) is 3-(4-aminophenoxy)-N-methyl-N-(thiophen-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-N-methyl-N-(thiophen-3-ylmethyl)propanamide?
The canonical SMILES for 3-(4-aminophenoxy)-N-methyl-N-(thiophen-3-ylmethyl)propanamide is CN(Cc1ccsc1)C(=O)CCOc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenoxy)-N-methyl-N-(thiophen-3-ylmethyl)propanamide?
The InChIKey is ZFMOYGPTVSSOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-17(10-12-7-9-20-11-12)15(18)6-8-19-14-4-2-13(16)3-5-14/h2-5,7,9,11H,6,8,10,16H2,1H3.
What are the key properties of 3-(4-aminophenoxy)-N-methyl-N-(thiophen-3-ylmethyl)propanamide?
3-(4-aminophenoxy)-N-methyl-N-(thiophen-3-ylmethyl)propanamide has a molecular weight of 290.39 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-N-methyl-N-(thiophen-3-ylmethyl)propanamide is sourced from PubChem (CID 61093832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).