3-amino-4-ethoxy-N-ethyl-N-propylbenzamide

C14H22N2O2 — CID 61094577

IUPAC3-amino-4-ethoxy-N-ethyl-N-propylbenzamide
SMILESCCCN(CC)C(=O)c1ccc(OCC)c(N)c1
InChIInChI=1S/C14H22N2O2/c1-4-9-16(5-2)14(17)11-7-8-13(18-6-3)12(15)10-11/h7-8,10H,4-6,9,15H2,1-3H3
InChIKeyXCUMEFKNFPTRBA-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.54
Rot. Bonds6

About 3-amino-4-ethoxy-N-ethyl-N-propylbenzamide

3-amino-4-ethoxy-N-ethyl-N-propylbenzamide (PubChem CID 61094577) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-4-ethoxy-N-ethyl-N-propylbenzamide.

Molecular Properties

Compound Name3-amino-4-ethoxy-N-ethyl-N-propylbenzamide
PubChem CID61094577
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-4-ethoxy-N-ethyl-N-propylbenzamide
SMILESCCCN(CC)C(=O)c1ccc(OCC)c(N)c1
InChIInChI=1S/C14H22N2O2/c1-4-9-16(5-2)14(17)11-7-8-13(18-6-3)12(15)10-11/h7-8,10H,4-6,9,15H2,1-3H3
InChIKeyXCUMEFKNFPTRBA-UHFFFAOYSA-N
XLogP2.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-ethoxy-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 61107770
3-amino-4-ethoxy-N-ethyl-N-(2-methylbutyl)benzamide
CID 79477369
3-amino-N,N-diethyl-4-methoxybenzamide
CID 16770695
3-amino-N-(2-ethoxyethyl)-N-ethyl-4-methoxybenzamide
CID 63697687
3-amino-N,N-dipropyl-4-(trifluoromethoxy)benzamide
CID 116628476
3-amino-N-cyclopropyl-4-ethoxy-N-ethylbenzamide
CID 61095549
3-amino-4-ethoxy-N-(2-methoxyethyl)-N-methylbenzamide
CID 61127519
4-amino-3-methoxy-N,N-dipropylbenzamide
CID 104782274
3-bromo-N-ethyl-4-methoxy-N-propylbenzamide
CID 60738275
2-(2-amino-4-butanoylphenoxy)-N,N-diethylacetamide
CID 82064251
1-(3-amino-4-ethoxyphenyl)-2-(methylamino)ethanone
CID 82258591
3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide
CID 61093294

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethoxy-N-ethyl-N-propylbenzamide?
The IUPAC name of 3-amino-4-ethoxy-N-ethyl-N-propylbenzamide (CID 61094577) is 3-amino-4-ethoxy-N-ethyl-N-propylbenzamide.
What is the SMILES notation for 3-amino-4-ethoxy-N-ethyl-N-propylbenzamide?
The canonical SMILES for 3-amino-4-ethoxy-N-ethyl-N-propylbenzamide is CCCN(CC)C(=O)c1ccc(OCC)c(N)c1.
What is the InChIKey of 3-amino-4-ethoxy-N-ethyl-N-propylbenzamide?
The InChIKey is XCUMEFKNFPTRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-9-16(5-2)14(17)11-7-8-13(18-6-3)12(15)10-11/h7-8,10H,4-6,9,15H2,1-3H3.
What are the key properties of 3-amino-4-ethoxy-N-ethyl-N-propylbenzamide?
3-amino-4-ethoxy-N-ethyl-N-propylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethoxy-N-ethyl-N-propylbenzamide is sourced from PubChem (CID 61094577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).