3-amino-N-(2-ethoxyethyl)-N,4-dimethylbenzamide

C13H20N2O2 — CID 81052864

IUPAC3-amino-N-(2-ethoxyethyl)-N,4-dimethylbenzamide
SMILESCCOCCN(C)C(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C13H20N2O2/c1-4-17-8-7-15(3)13(16)11-6-5-10(2)12(14)9-11/h5-6,9H,4,7-8,14H2,1-3H3
InChIKeyCIQIVMPQDPYDOP-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.69
Rot. Bonds5

About 3-amino-N-(2-ethoxyethyl)-N,4-dimethylbenzamide

3-amino-N-(2-ethoxyethyl)-N,4-dimethylbenzamide (PubChem CID 81052864) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-amino-N-(2-ethoxyethyl)-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2-ethoxyethyl)-N,4-dimethylbenzamide
PubChem CID81052864
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-amino-N-(2-ethoxyethyl)-N,4-dimethylbenzamide
SMILESCCOCCN(C)C(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C13H20N2O2/c1-4-17-8-7-15(3)13(16)11-6-5-10(2)12(14)9-11/h5-6,9H,4,7-8,14H2,1-3H3
InChIKeyCIQIVMPQDPYDOP-UHFFFAOYSA-N
XLogP1.69
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[5-[2-ethoxyethyl(methyl)carbamoyl]-2-methylphenyl]prop-2-enoic acid
CID 81475998
3-amino-N-[2-(2-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide
CID 86780225
methyl 4-[(3-amino-4-methylbenzoyl)-methylamino]butanoate
CID 60947543
N-(2-ethoxyethyl)-N-methylbenzamide
CID 81074695
2-[2-ethoxyethyl(methyl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429188
N-(2-ethoxyethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbenzamide
CID 81062151
3,5-dibromo-N-(2-ethoxyethyl)-N-methylbenzamide
CID 103909435
3-amino-4-ethoxy-N-(2-methoxyethyl)-N-methylbenzamide
CID 61127519
N-(2-methoxyethyl)-N,3,4-trimethylbenzamide
CID 130399829
3-amino-N-methoxy-N,4-dimethylbenzamide
CID 43627456
3-amino-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 43570555
[2-[ethyl(methyl)amino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 61320671

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethoxyethyl)-N,4-dimethylbenzamide?
The IUPAC name of 3-amino-N-(2-ethoxyethyl)-N,4-dimethylbenzamide (CID 81052864) is 3-amino-N-(2-ethoxyethyl)-N,4-dimethylbenzamide.
What is the SMILES notation for 3-amino-N-(2-ethoxyethyl)-N,4-dimethylbenzamide?
The canonical SMILES for 3-amino-N-(2-ethoxyethyl)-N,4-dimethylbenzamide is CCOCCN(C)C(=O)c1ccc(C)c(N)c1.
What is the InChIKey of 3-amino-N-(2-ethoxyethyl)-N,4-dimethylbenzamide?
The InChIKey is CIQIVMPQDPYDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-17-8-7-15(3)13(16)11-6-5-10(2)12(14)9-11/h5-6,9H,4,7-8,14H2,1-3H3.
What are the key properties of 3-amino-N-(2-ethoxyethyl)-N,4-dimethylbenzamide?
3-amino-N-(2-ethoxyethyl)-N,4-dimethylbenzamide has a molecular weight of 236.31 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethoxyethyl)-N,4-dimethylbenzamide is sourced from PubChem (CID 81052864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).