2-(3-aminophenyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide

C17H22N2OS — CID 106591109

IUPAC2-(3-aminophenyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
SMILESCc1ccc(C(C)N(C)C(=O)C(C)c2cccc(N)c2)s1
InChIInChI=1S/C17H22N2OS/c1-11-8-9-16(21-11)13(3)19(4)17(20)12(2)14-6-5-7-15(18)10-14/h5-10,12-13H,18H2,1-4H3
InChIKeyJWAFIGHJFLMTAS-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.96
Rot. Bonds4

About 2-(3-aminophenyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide

2-(3-aminophenyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide (PubChem CID 106591109) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
PubChem CID106591109
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2-(3-aminophenyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
SMILESCc1ccc(C(C)N(C)C(=O)C(C)c2cccc(N)c2)s1
InChIInChI=1S/C17H22N2OS/c1-11-8-9-16(21-11)13(3)19(4)17(20)12(2)14-6-5-7-15(18)10-14/h5-10,12-13H,18H2,1-4H3
InChIKeyJWAFIGHJFLMTAS-UHFFFAOYSA-N
XLogP3.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenyl)-N-methyl-N-pentan-3-ylpropanamide
CID 106590925
2-(3-aminophenyl)-N-methoxy-N-methylpropanamide
CID 106590965
3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 61140502
2-(3-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpropanamide
CID 106591084
3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64524839
3-amino-2-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 115930368
2-(3-aminophenyl)-N-methyl-N-prop-2-enylpropanamide
CID 106591692
3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 60963185
1-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carboxamide
CID 65465761
2-(3-aminophenyl)propanoate
CID 71650577
3-amino-N,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 64676730
5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 79964283

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide (CID 106591109) is 2-(3-aminophenyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide is Cc1ccc(C(C)N(C)C(=O)C(C)c2cccc(N)c2)s1.
What is the InChIKey of 2-(3-aminophenyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide?
The InChIKey is JWAFIGHJFLMTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-11-8-9-16(21-11)13(3)19(4)17(20)12(2)14-6-5-7-15(18)10-14/h5-10,12-13H,18H2,1-4H3.
What are the key properties of 2-(3-aminophenyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide?
2-(3-aminophenyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide has a molecular weight of 302.44 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide is sourced from PubChem (CID 106591109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).