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

C12H17N3O4 — CID 112606101

IUPAC2-amino-N-(2-amino-2-oxoethyl)-3,5-dimethoxy-N-methylbenzamide
SMILESCOc1cc(OC)c(N)c(C(=O)N(C)CC(N)=O)c1
InChIInChI=1S/C12H17N3O4/c1-15(6-10(13)16)12(17)8-4-7(18-2)5-9(19-3)11(8)14/h4-5H,6,14H2,1-3H3,(H2,13,16)
InChIKeyQIJFOCYFMFEJGZ-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.16
Rot. Bonds5

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

2-amino-N-(2-amino-2-oxoethyl)-3,5-dimethoxy-N-methylbenzamide (PubChem CID 112606101) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-amino-N-(2-amino-2-oxoethyl)-3,5-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(2-amino-2-oxoethyl)-3,5-dimethoxy-N-methylbenzamide
PubChem CID112606101
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name2-amino-N-(2-amino-2-oxoethyl)-3,5-dimethoxy-N-methylbenzamide
SMILESCOc1cc(OC)c(N)c(C(=O)N(C)CC(N)=O)c1
InChIInChI=1S/C12H17N3O4/c1-15(6-10(13)16)12(17)8-4-7(18-2)5-9(19-3)11(8)14/h4-5H,6,14H2,1-3H3,(H2,13,16)
InChIKeyQIJFOCYFMFEJGZ-UHFFFAOYSA-N
XLogP-0.16
TPSA107.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
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-(dimethylamino)-2-oxoethyl]-3,5-dimethoxy-N-methylbenzamide
CID 115950484
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
2-(dimethylamino)ethyl 2-amino-3,5-dimethoxybenzoate
CID 112606170
2-amino-N-(2-hydroxyethyl)-3,5-dimethoxy-N-propylbenzamide
CID 115950552
N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 47210225
[3-(dimethylamino)-3-oxopropyl] 2-amino-3,5-dimethoxybenzoate
CID 115950825
2-amino-N-(2-fluoroethyl)-3,5-dimethoxybenzamide
CID 114266909
2-amino-3,5-dimethoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
CID 103338349
2-amino-N-butyl-3,5-dimethoxybenzamide
CID 112606080

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-3,5-dimethoxy-N-methylbenzamide?
The IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-3,5-dimethoxy-N-methylbenzamide (CID 112606101) is 2-amino-N-(2-amino-2-oxoethyl)-3,5-dimethoxy-N-methylbenzamide.
What is the SMILES notation for 2-amino-N-(2-amino-2-oxoethyl)-3,5-dimethoxy-N-methylbenzamide?
The canonical SMILES for 2-amino-N-(2-amino-2-oxoethyl)-3,5-dimethoxy-N-methylbenzamide is COc1cc(OC)c(N)c(C(=O)N(C)CC(N)=O)c1.
What is the InChIKey of 2-amino-N-(2-amino-2-oxoethyl)-3,5-dimethoxy-N-methylbenzamide?
The InChIKey is QIJFOCYFMFEJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-15(6-10(13)16)12(17)8-4-7(18-2)5-9(19-3)11(8)14/h4-5H,6,14H2,1-3H3,(H2,13,16).
What are the key properties of 2-amino-N-(2-amino-2-oxoethyl)-3,5-dimethoxy-N-methylbenzamide?
2-amino-N-(2-amino-2-oxoethyl)-3,5-dimethoxy-N-methylbenzamide has a molecular weight of 267.29 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-amino-2-oxoethyl)-3,5-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 112606101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).