4-(dimethylamino)-N-[3-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]benzamide;methylsulfanylmethane

C18H30N2O3S — CID 143181882

IUPAC4-(dimethylamino)-N-[3-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]benzamide;methylsulfanylmethane
SMILESCN(C)c1ccc(C(=O)NCC(=O)COC(C)(C)C)cc1.CSC
InChIInChI=1S/C16H24N2O3.C2H6S/c1-16(2,3)21-11-14(19)10-17-15(20)12-6-8-13(9-7-12)18(4)5;1-3-2/h6-9H,10-11H2,1-5H3,(H,17,20);1-2H3
InChIKeyCMOQSNFISXMQNA-UHFFFAOYSA-N
MW354.52 g/mol
LogP2.85
Rot. Bonds6

About 4-(dimethylamino)-N-[3-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]benzamide;methylsulfanylmethane

4-(dimethylamino)-N-[3-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]benzamide;methylsulfanylmethane (PubChem CID 143181882) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[3-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]benzamide;methylsulfanylmethane.

Molecular Properties

Compound Name4-(dimethylamino)-N-[3-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]benzamide;methylsulfanylmethane
PubChem CID143181882
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC Name4-(dimethylamino)-N-[3-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]benzamide;methylsulfanylmethane
SMILESCN(C)c1ccc(C(=O)NCC(=O)COC(C)(C)C)cc1.CSC
InChIInChI=1S/C16H24N2O3.C2H6S/c1-16(2,3)21-11-14(19)10-17-15(20)12-6-8-13(9-7-12)18(4)5;1-3-2/h6-9H,10-11H2,1-5H3,(H,17,20);1-2H3
InChIKeyCMOQSNFISXMQNA-UHFFFAOYSA-N
XLogP2.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]acetic acid
CID 39846636
4-(dimethylamino)-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 108542960
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
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methyl 4-[3-[4-(dimethylamino)phenyl]prop-2-ynylcarbamoyl]benzoate
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N-(2-amino-2-ethylbutyl)-4-(dimethylamino)benzamide
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CID 90551871

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[3-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]benzamide;methylsulfanylmethane?
The IUPAC name of 4-(dimethylamino)-N-[3-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]benzamide;methylsulfanylmethane (CID 143181882) is 4-(dimethylamino)-N-[3-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]benzamide;methylsulfanylmethane.
What is the SMILES notation for 4-(dimethylamino)-N-[3-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]benzamide;methylsulfanylmethane?
The canonical SMILES for 4-(dimethylamino)-N-[3-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]benzamide;methylsulfanylmethane is CN(C)c1ccc(C(=O)NCC(=O)COC(C)(C)C)cc1.CSC.
What is the InChIKey of 4-(dimethylamino)-N-[3-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]benzamide;methylsulfanylmethane?
The InChIKey is CMOQSNFISXMQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.C2H6S/c1-16(2,3)21-11-14(19)10-17-15(20)12-6-8-13(9-7-12)18(4)5;1-3-2/h6-9H,10-11H2,1-5H3,(H,17,20);1-2H3.
What are the key properties of 4-(dimethylamino)-N-[3-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]benzamide;methylsulfanylmethane?
4-(dimethylamino)-N-[3-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]benzamide;methylsulfanylmethane has a molecular weight of 354.52 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[3-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]benzamide;methylsulfanylmethane is sourced from PubChem (CID 143181882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).