2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethoxy-N-methylbenzamide

C14H21N3O4 — CID 115950484

IUPAC2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethoxy-N-methylbenzamide
SMILESCOc1cc(OC)c(N)c(C(=O)N(C)CC(=O)N(C)C)c1
InChIInChI=1S/C14H21N3O4/c1-16(2)12(18)8-17(3)14(19)10-6-9(20-4)7-11(21-5)13(10)15/h6-7H,8,15H2,1-5H3
InChIKeyIZCJIFSNTCRARX-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.45
Rot. Bonds5

About 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethoxy-N-methylbenzamide

2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethoxy-N-methylbenzamide (PubChem CID 115950484) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethoxy-N-methylbenzamide
PubChem CID115950484
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethoxy-N-methylbenzamide
SMILESCOc1cc(OC)c(N)c(C(=O)N(C)CC(=O)N(C)C)c1
InChIInChI=1S/C14H21N3O4/c1-16(2)12(18)8-17(3)14(19)10-6-9(20-4)7-11(21-5)13(10)15/h6-7H,8,15H2,1-5H3
InChIKeyIZCJIFSNTCRARX-UHFFFAOYSA-N
XLogP0.45
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-amino-2-oxoethyl)-3,5-dimethoxy-N-methylbenzamide
CID 112606101
[3-(dimethylamino)-3-oxopropyl] 2-amino-3,5-dimethoxybenzoate
CID 115950825
2-amino-3,5-dimethoxy-N,N-dipropylbenzamide
CID 115950412
2-amino-3,5-dimethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 115950596
2-amino-N-ethyl-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide
CID 112606111
2-amino-N-ethyl-3,5-dimethoxybenzamide
CID 112606069
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
CID 78988590
2-(dimethylamino)ethyl 2-amino-3,5-dimethoxybenzoate
CID 112606170
2-amino-N-(2-hydroxyethyl)-3,5-dimethoxy-N-propylbenzamide
CID 115950552
2-amino-3,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 112606081
2-amino-N-(2-fluoroethyl)-3,5-dimethoxybenzamide
CID 114266909
2-amino-3,5-dimethoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
CID 103338349

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethoxy-N-methylbenzamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethoxy-N-methylbenzamide (CID 115950484) is 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethoxy-N-methylbenzamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethoxy-N-methylbenzamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethoxy-N-methylbenzamide is COc1cc(OC)c(N)c(C(=O)N(C)CC(=O)N(C)C)c1.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethoxy-N-methylbenzamide?
The InChIKey is IZCJIFSNTCRARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-16(2)12(18)8-17(3)14(19)10-6-9(20-4)7-11(21-5)13(10)15/h6-7H,8,15H2,1-5H3.
What are the key properties of 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethoxy-N-methylbenzamide?
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethoxy-N-methylbenzamide has a molecular weight of 295.34 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 115950484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).