N-[2-[2-methoxyethyl(2-methylpropyl)amino]-2-oxoethyl]-3,4-dimethylbenzamide

C18H28N2O3 — CID 32954048

IUPACN-[2-[2-methoxyethyl(2-methylpropyl)amino]-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCOCCN(CC(C)C)C(=O)CNC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C18H28N2O3/c1-13(2)12-20(8-9-23-5)17(21)11-19-18(22)16-7-6-14(3)15(4)10-16/h6-7,10,13H,8-9,11-12H2,1-5H3,(H,19,22)
InChIKeyPKEUVSVUJSRNAJ-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.16
Rot. Bonds8

About N-[2-[2-methoxyethyl(2-methylpropyl)amino]-2-oxoethyl]-3,4-dimethylbenzamide

N-[2-[2-methoxyethyl(2-methylpropyl)amino]-2-oxoethyl]-3,4-dimethylbenzamide (PubChem CID 32954048) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[2-[2-methoxyethyl(2-methylpropyl)amino]-2-oxoethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[2-methoxyethyl(2-methylpropyl)amino]-2-oxoethyl]-3,4-dimethylbenzamide
PubChem CID32954048
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[2-[2-methoxyethyl(2-methylpropyl)amino]-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCOCCN(CC(C)C)C(=O)CNC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C18H28N2O3/c1-13(2)12-20(8-9-23-5)17(21)11-19-18(22)16-7-6-14(3)15(4)10-16/h6-7,10,13H,8-9,11-12H2,1-5H3,(H,19,22)
InChIKeyPKEUVSVUJSRNAJ-UHFFFAOYSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dipropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 112995736
N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-3,4-dimethylbenzamide
CID 113053159
methyl 4-[2-methoxyethyl(2-methylpropyl)carbamoyl]benzoate
CID 134059038
3,4-dimethyl-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]benzamide
CID 38580004
N-(2-methoxyethyl)-N,3,4-trimethylbenzamide
CID 130399829
N-[2-[2-[di(propan-2-yl)amino]ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 18160821
3-amino-4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide
CID 61105605
N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide
CID 5390617
N-[2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 78822106
5-amino-N-(2-methoxyethyl)-2,4-dimethyl-N-(2-methylpropyl)benzamide
CID 102705195
N-[2-[benzyl(butan-2-yl)amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 112795398
2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]propanoic acid
CID 120523616

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-methoxyethyl(2-methylpropyl)amino]-2-oxoethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-[2-methoxyethyl(2-methylpropyl)amino]-2-oxoethyl]-3,4-dimethylbenzamide (CID 32954048) is N-[2-[2-methoxyethyl(2-methylpropyl)amino]-2-oxoethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[2-methoxyethyl(2-methylpropyl)amino]-2-oxoethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-[2-methoxyethyl(2-methylpropyl)amino]-2-oxoethyl]-3,4-dimethylbenzamide is COCCN(CC(C)C)C(=O)CNC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-[2-[2-methoxyethyl(2-methylpropyl)amino]-2-oxoethyl]-3,4-dimethylbenzamide?
The InChIKey is PKEUVSVUJSRNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13(2)12-20(8-9-23-5)17(21)11-19-18(22)16-7-6-14(3)15(4)10-16/h6-7,10,13H,8-9,11-12H2,1-5H3,(H,19,22).
What are the key properties of N-[2-[2-methoxyethyl(2-methylpropyl)amino]-2-oxoethyl]-3,4-dimethylbenzamide?
N-[2-[2-methoxyethyl(2-methylpropyl)amino]-2-oxoethyl]-3,4-dimethylbenzamide has a molecular weight of 320.43 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-methoxyethyl(2-methylpropyl)amino]-2-oxoethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 32954048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).