4-amino-N-(2-ethoxyethyl)-N-ethyl-3-methoxybenzamide

C14H22N2O3 — CID 104782930

IUPAC4-amino-N-(2-ethoxyethyl)-N-ethyl-3-methoxybenzamide
SMILESCCOCCN(CC)C(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C14H22N2O3/c1-4-16(8-9-19-5-2)14(17)11-6-7-12(15)13(10-11)18-3/h6-7,10H,4-5,8-9,15H2,1-3H3
InChIKeyDJCHYBJJIDTMFM-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.78
Rot. Bonds7

About 4-amino-N-(2-ethoxyethyl)-N-ethyl-3-methoxybenzamide

4-amino-N-(2-ethoxyethyl)-N-ethyl-3-methoxybenzamide (PubChem CID 104782930) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-amino-N-(2-ethoxyethyl)-N-ethyl-3-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-(2-ethoxyethyl)-N-ethyl-3-methoxybenzamide
PubChem CID104782930
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-amino-N-(2-ethoxyethyl)-N-ethyl-3-methoxybenzamide
SMILESCCOCCN(CC)C(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C14H22N2O3/c1-4-16(8-9-19-5-2)14(17)11-6-7-12(15)13(10-11)18-3/h6-7,10H,4-5,8-9,15H2,1-3H3
InChIKeyDJCHYBJJIDTMFM-UHFFFAOYSA-N
XLogP1.78
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-amino-N-(2-ethoxyethyl)-N-ethyl-4-methoxybenzamide
CID 63697687
4-amino-3-methoxy-N,N-dipropylbenzamide
CID 104782274
6-amino-N-(2-ethoxyethyl)-N-ethylpyridine-3-carboxamide
CID 63690796
3-amino-N,N-diethyl-4-methoxybenzamide
CID 16770695
4-amino-N-ethyl-3-hydroxy-N-(2-methoxyethyl)benzamide
CID 107074866
methyl 2-[(4-amino-3-methoxybenzoyl)-propylamino]acetate
CID 104782582
4-amino-N-(2-cyanopropyl)-N-ethyl-3-methoxybenzamide
CID 104782607
2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methylbenzamide
CID 63690620
N-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-methylbenzamide
CID 63692679
3-chloro-N-(2-ethoxyethyl)-N-ethyl-4-hydroxybenzamide
CID 63692359
N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63718241
2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63696093

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethoxyethyl)-N-ethyl-3-methoxybenzamide?
The IUPAC name of 4-amino-N-(2-ethoxyethyl)-N-ethyl-3-methoxybenzamide (CID 104782930) is 4-amino-N-(2-ethoxyethyl)-N-ethyl-3-methoxybenzamide.
What is the SMILES notation for 4-amino-N-(2-ethoxyethyl)-N-ethyl-3-methoxybenzamide?
The canonical SMILES for 4-amino-N-(2-ethoxyethyl)-N-ethyl-3-methoxybenzamide is CCOCCN(CC)C(=O)c1ccc(N)c(OC)c1.
What is the InChIKey of 4-amino-N-(2-ethoxyethyl)-N-ethyl-3-methoxybenzamide?
The InChIKey is DJCHYBJJIDTMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-16(8-9-19-5-2)14(17)11-6-7-12(15)13(10-11)18-3/h6-7,10H,4-5,8-9,15H2,1-3H3.
What are the key properties of 4-amino-N-(2-ethoxyethyl)-N-ethyl-3-methoxybenzamide?
4-amino-N-(2-ethoxyethyl)-N-ethyl-3-methoxybenzamide has a molecular weight of 266.34 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethoxyethyl)-N-ethyl-3-methoxybenzamide is sourced from PubChem (CID 104782930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).