3-amino-5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide

C14H20BrN3O3 — CID 107872407

IUPAC3-amino-5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide
SMILESCOCCNC(=O)CN(C)C(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C14H20BrN3O3/c1-9-11(6-10(15)7-12(9)16)14(20)18(2)8-13(19)17-4-5-21-3/h6-7H,4-5,8,16H2,1-3H3,(H,17,19)
InChIKeySMGSRPDCMNGWTQ-UHFFFAOYSA-N
MW358.24 g/mol
LogP1.17
Rot. Bonds6

About 3-amino-5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide

3-amino-5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide (PubChem CID 107872407) has the molecular formula C14H20BrN3O3 and a molecular weight of 358.24 g/mol. Its IUPAC name is 3-amino-5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide
PubChem CID107872407
Molecular FormulaC14H20BrN3O3
Molecular Weight358.24 g/mol
Exact Mass357.07
IUPAC Name3-amino-5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide
SMILESCOCCNC(=O)CN(C)C(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C14H20BrN3O3/c1-9-11(6-10(15)7-12(9)16)14(20)18(2)8-13(19)17-4-5-21-3/h6-7H,4-5,8,16H2,1-3H3,(H,17,19)
InChIKeySMGSRPDCMNGWTQ-UHFFFAOYSA-N
XLogP1.17
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-5-bromo-N-(2-methoxyethyl)-2-methylbenzamide
CID 107871969
4-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 51328809
3,5-diamino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61109542
2-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylfuran-3-carboxamide
CID 106853533
3-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide
CID 82829175
3-amino-5-bromo-N,2-dimethyl-N-propylbenzamide
CID 107872178
3-amino-5-bromo-N,2-dimethyl-N-prop-2-ynylbenzamide
CID 107873004
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-2-(methylamino)benzamide
CID 61377669
3-amino-5-bromo-N-(3-methoxy-2-methylpropyl)-2-methylbenzamide
CID 107872634
4-chloro-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 51328813
2-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 84589607
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 104506622

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide?
The IUPAC name of 3-amino-5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide (CID 107872407) is 3-amino-5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-amino-5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide?
The canonical SMILES for 3-amino-5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide is COCCNC(=O)CN(C)C(=O)c1cc(Br)cc(N)c1C.
What is the InChIKey of 3-amino-5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide?
The InChIKey is SMGSRPDCMNGWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O3/c1-9-11(6-10(15)7-12(9)16)14(20)18(2)8-13(19)17-4-5-21-3/h6-7H,4-5,8,16H2,1-3H3,(H,17,19).
What are the key properties of 3-amino-5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide?
3-amino-5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide has a molecular weight of 358.24 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide is sourced from PubChem (CID 107872407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).