3-amino-4-ethoxy-N-(2-methoxyethyl)-N-methylbenzamide

C13H20N2O3 — CID 61127519

IUPAC3-amino-4-ethoxy-N-(2-methoxyethyl)-N-methylbenzamide
SMILESCCOc1ccc(C(=O)N(C)CCOC)cc1N
InChIInChI=1S/C13H20N2O3/c1-4-18-12-6-5-10(9-11(12)14)13(16)15(2)7-8-17-3/h5-6,9H,4,7-8,14H2,1-3H3
InChIKeyDBXQZEZYNXJJKF-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.39
Rot. Bonds6

About 3-amino-4-ethoxy-N-(2-methoxyethyl)-N-methylbenzamide

3-amino-4-ethoxy-N-(2-methoxyethyl)-N-methylbenzamide (PubChem CID 61127519) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-amino-4-ethoxy-N-(2-methoxyethyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-ethoxy-N-(2-methoxyethyl)-N-methylbenzamide
PubChem CID61127519
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-amino-4-ethoxy-N-(2-methoxyethyl)-N-methylbenzamide
SMILESCCOc1ccc(C(=O)N(C)CCOC)cc1N
InChIInChI=1S/C13H20N2O3/c1-4-18-12-6-5-10(9-11(12)14)13(16)15(2)7-8-17-3/h5-6,9H,4,7-8,14H2,1-3H3
InChIKeyDBXQZEZYNXJJKF-UHFFFAOYSA-N
XLogP1.39
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(2-methoxyethoxy)-N,N-dimethylbenzamide
CID 82991549
3-[(3-amino-4-propoxybenzoyl)-methylamino]propanoic acid
CID 110496635
3-amino-4-ethoxy-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 64512332
3-amino-4-ethoxy-N-ethyl-N-propylbenzamide
CID 61094577
3-amino-N-(2-cyanopropyl)-4-ethoxy-N-methylbenzamide
CID 61116071
3-(dimethylamino)propyl 3-amino-4-ethoxybenzoate
CID 114526416
3-amino-4-ethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64510575
3-amino-N-(2-ethoxyethyl)-N,4-dimethylbenzamide
CID 81052864
N-(2-methoxyethyl)-N,3,4-trimethylbenzamide
CID 130399829
1-(3-amino-4-ethoxyphenyl)-2-(2-methoxyethylamino)ethanone
CID 82258583
3-amino-4-[2-(diethylamino)ethoxy]-N,N-dimethylbenzamide
CID 82989969
3-amino-N-cyclopropyl-4-ethoxy-N-ethylbenzamide
CID 61095549

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethoxy-N-(2-methoxyethyl)-N-methylbenzamide?
The IUPAC name of 3-amino-4-ethoxy-N-(2-methoxyethyl)-N-methylbenzamide (CID 61127519) is 3-amino-4-ethoxy-N-(2-methoxyethyl)-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-ethoxy-N-(2-methoxyethyl)-N-methylbenzamide?
The canonical SMILES for 3-amino-4-ethoxy-N-(2-methoxyethyl)-N-methylbenzamide is CCOc1ccc(C(=O)N(C)CCOC)cc1N.
What is the InChIKey of 3-amino-4-ethoxy-N-(2-methoxyethyl)-N-methylbenzamide?
The InChIKey is DBXQZEZYNXJJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-18-12-6-5-10(9-11(12)14)13(16)15(2)7-8-17-3/h5-6,9H,4,7-8,14H2,1-3H3.
What are the key properties of 3-amino-4-ethoxy-N-(2-methoxyethyl)-N-methylbenzamide?
3-amino-4-ethoxy-N-(2-methoxyethyl)-N-methylbenzamide has a molecular weight of 252.31 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethoxy-N-(2-methoxyethyl)-N-methylbenzamide is sourced from PubChem (CID 61127519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).