2-amino-6-ethoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide

C14H22N2O2S — CID 112656484

IUPAC2-amino-6-ethoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
SMILESCCOc1cccc(N)c1C(=O)N(C)C(C)CSC
InChIInChI=1S/C14H22N2O2S/c1-5-18-12-8-6-7-11(15)13(12)14(17)16(3)10(2)9-19-4/h6-8,10H,5,9,15H2,1-4H3
InChIKeyRZPSDPDPTVNMIU-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.49
Rot. Bonds6

About 2-amino-6-ethoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide

2-amino-6-ethoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide (PubChem CID 112656484) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-amino-6-ethoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-6-ethoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
PubChem CID112656484
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-amino-6-ethoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
SMILESCCOc1cccc(N)c1C(=O)N(C)C(C)CSC
InChIInChI=1S/C14H22N2O2S/c1-5-18-12-8-6-7-11(15)13(12)14(17)16(3)10(2)9-19-4/h6-8,10H,5,9,15H2,1-4H3
InChIKeyRZPSDPDPTVNMIU-UHFFFAOYSA-N
XLogP2.49
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methylbutan-2-yl 2-amino-6-ethoxybenzoate
CID 81414285
2-(2-amino-6-ethoxybenzoyl)oxypropanoic acid
CID 81413977
2-amino-6-ethoxy-N-propan-2-yl-N-prop-2-enylbenzamide
CID 81420096
4-methylpentan-2-yl 2-amino-6-ethoxybenzoate
CID 81414693
[1-(ethylamino)-1-oxopropan-2-yl] 2-amino-6-ethoxybenzoate
CID 81414134
2-amino-6-ethoxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107733158
2-amino-6-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 81420291
2-amino-6-ethoxy-N-(2-methylbutyl)benzamide
CID 81420937
[2-(diethylamino)-2-oxoethyl] 2-amino-6-ethoxybenzoate
CID 81394370
2-amino-6-ethoxy-N-(3-hydroxy-2-methylpropyl)benzamide
CID 81420128
3-amino-4-methoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112656487
2-amino-6-ethoxy-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 81420087

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
The IUPAC name of 2-amino-6-ethoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide (CID 112656484) is 2-amino-6-ethoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide.
What is the SMILES notation for 2-amino-6-ethoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
The canonical SMILES for 2-amino-6-ethoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide is CCOc1cccc(N)c1C(=O)N(C)C(C)CSC.
What is the InChIKey of 2-amino-6-ethoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
The InChIKey is RZPSDPDPTVNMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-5-18-12-8-6-7-11(15)13(12)14(17)16(3)10(2)9-19-4/h6-8,10H,5,9,15H2,1-4H3.
What are the key properties of 2-amino-6-ethoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
2-amino-6-ethoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide has a molecular weight of 282.41 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide is sourced from PubChem (CID 112656484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).