N-[2-(dimethylamino)-2-oxoethyl]-3-(methoxymethyl)benzamide

C13H18N2O3 — CID 9481032

IUPACN-[2-(dimethylamino)-2-oxoethyl]-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)NCC(=O)N(C)C)c1
InChIInChI=1S/C13H18N2O3/c1-15(2)12(16)8-14-13(17)11-6-4-5-10(7-11)9-18-3/h4-7H,8-9H2,1-3H3,(H,14,17)
InChIKeyXTZVZTKYYPMFDS-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.65
Rot. Bonds5

About N-[2-(dimethylamino)-2-oxoethyl]-3-(methoxymethyl)benzamide

N-[2-(dimethylamino)-2-oxoethyl]-3-(methoxymethyl)benzamide (PubChem CID 9481032) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-3-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-3-(methoxymethyl)benzamide
PubChem CID9481032
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)NCC(=O)N(C)C)c1
InChIInChI=1S/C13H18N2O3/c1-15(2)12(16)8-14-13(17)11-6-4-5-10(7-11)9-18-3/h4-7H,8-9H2,1-3H3,(H,14,17)
InChIKeyXTZVZTKYYPMFDS-UHFFFAOYSA-N
XLogP0.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 60667721
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CID 55565202
3-(methoxymethyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
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N-[[4-(ethoxymethyl)phenyl]methyl]-3-(methoxymethyl)benzamide
CID 37358180
2,6-difluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]benzamide
CID 56788999
methyl 2-hydroxy-3-[[3-(methoxymethyl)benzoyl]amino]propanoate
CID 103879076
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide
CID 7603190
N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24512905
3-fluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]-4-methylbenzamide
CID 33327149
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
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1-[3-(methoxymethyl)phenyl]-2-(methylamino)ethanone
CID 117283877

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-3-(methoxymethyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-3-(methoxymethyl)benzamide (CID 9481032) is N-[2-(dimethylamino)-2-oxoethyl]-3-(methoxymethyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-3-(methoxymethyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-3-(methoxymethyl)benzamide is COCc1cccc(C(=O)NCC(=O)N(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-3-(methoxymethyl)benzamide?
The InChIKey is XTZVZTKYYPMFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-15(2)12(16)8-14-13(17)11-6-4-5-10(7-11)9-18-3/h4-7H,8-9H2,1-3H3,(H,14,17).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-3-(methoxymethyl)benzamide?
N-[2-(dimethylamino)-2-oxoethyl]-3-(methoxymethyl)benzamide has a molecular weight of 250.30 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-3-(methoxymethyl)benzamide is sourced from PubChem (CID 9481032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).