N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethoxybenzamide

C13H18N2O4 — CID 9480532

IUPACN-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)N(C)C)c(OC)c1
InChIInChI=1S/C13H18N2O4/c1-15(2)12(16)8-14-13(17)10-6-5-9(18-3)7-11(10)19-4/h5-7H,8H2,1-4H3,(H,14,17)
InChIKeyHSTXLXGEIDLFHY-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.52
Rot. Bonds5

About N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethoxybenzamide

N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethoxybenzamide (PubChem CID 9480532) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethoxybenzamide
PubChem CID9480532
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)N(C)C)c(OC)c1
InChIInChI=1S/C13H18N2O4/c1-15(2)12(16)8-14-13(17)10-6-5-9(18-3)7-11(10)19-4/h5-7H,8H2,1-4H3,(H,14,17)
InChIKeyHSTXLXGEIDLFHY-UHFFFAOYSA-N
XLogP0.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
N-(3-hydroxypropyl)-2,4-dimethoxybenzamide
CID 43390013
2-[[2-[2-(dimethylamino)ethoxy]-4-methoxybenzoyl]amino]acetic acid
CID 39293694
2-[(2,4-dimethoxyphenyl)methylamino]-N,N-dimethylacetamide
CID 43214431
ethyl 3-[(2,4-dimethoxybenzoyl)amino]propanoate
CID 47437682
methyl 3-[(2,4-dimethoxybenzoyl)amino]-2-iodopropanoate
CID 103493347
N-(2-aminobutyl)-2,4-dimethoxybenzamide
CID 63731362
N-[3-(ethylamino)propyl]-2,4-dimethoxybenzamide
CID 43601745
N-(2-hydroxy-2-methylbutyl)-2,4-dimethoxybenzamide
CID 65114811
N-(3-chlorobutyl)-2,4-dimethoxybenzamide
CID 114301807

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethoxybenzamide (CID 9480532) is N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)NCC(=O)N(C)C)c(OC)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethoxybenzamide?
The InChIKey is HSTXLXGEIDLFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-15(2)12(16)8-14-13(17)10-6-5-9(18-3)7-11(10)19-4/h5-7H,8H2,1-4H3,(H,14,17).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethoxybenzamide?
N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethoxybenzamide has a molecular weight of 266.30 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 9480532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).