3-amino-N-cyclopropyl-5-ethoxy-N-ethylbenzamide

C14H20N2O2 — CID 81090601

IUPAC3-amino-N-cyclopropyl-5-ethoxy-N-ethylbenzamide
SMILESCCOc1cc(N)cc(C(=O)N(CC)C2CC2)c1
InChIInChI=1S/C14H20N2O2/c1-3-16(12-5-6-12)14(17)10-7-11(15)9-13(8-10)18-4-2/h7-9,12H,3-6,15H2,1-2H3
InChIKeyYHYXQKNPTGCYBI-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.29
Rot. Bonds5

About 3-amino-N-cyclopropyl-5-ethoxy-N-ethylbenzamide

3-amino-N-cyclopropyl-5-ethoxy-N-ethylbenzamide (PubChem CID 81090601) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-ethoxy-N-ethylbenzamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-ethoxy-N-ethylbenzamide
PubChem CID81090601
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-amino-N-cyclopropyl-5-ethoxy-N-ethylbenzamide
SMILESCCOc1cc(N)cc(C(=O)N(CC)C2CC2)c1
InChIInChI=1S/C14H20N2O2/c1-3-16(12-5-6-12)14(17)10-7-11(15)9-13(8-10)18-4-2/h7-9,12H,3-6,15H2,1-2H3
InChIKeyYHYXQKNPTGCYBI-UHFFFAOYSA-N
XLogP2.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.29
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-N-cyclopropyl-4-ethoxy-N-ethylbenzamide
CID 61095549
3-amino-5-ethoxy-N-methyl-N-(3-methylcyclohexyl)benzamide
CID 81094084
3-amino-N-butan-2-yl-5-ethoxy-N-ethylbenzamide
CID 81090424
3-amino-5-ethoxy-N-methyl-N-pentan-3-ylbenzamide
CID 81089701
3-amino-N,N-dibutyl-5-ethoxybenzamide
CID 81095116
3-amino-N-(cyclopentylmethyl)-5-ethoxybenzamide
CID 81090073
3-amino-5-ethoxy-N-ethyl-N-phenylbenzamide
CID 81094810
ethyl 3-amino-5-ethoxybenzoate
CID 58424919
3-amino-5-ethoxy-N-methyl-N-(2-methylpropyl)benzamide
CID 81090070
2-cyclopropylethyl 3-amino-5-ethoxybenzoate
CID 81092437
methyl 3-amino-5-ethoxybenzoate
CID 45089063
3-amino-5-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 81089871

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-5-ethoxy-N-ethylbenzamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-ethoxy-N-ethylbenzamide (CID 81090601) is 3-amino-N-cyclopropyl-5-ethoxy-N-ethylbenzamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-ethoxy-N-ethylbenzamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-ethoxy-N-ethylbenzamide is CCOc1cc(N)cc(C(=O)N(CC)C2CC2)c1.
What is the InChIKey of 3-amino-N-cyclopropyl-5-ethoxy-N-ethylbenzamide?
The InChIKey is YHYXQKNPTGCYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-16(12-5-6-12)14(17)10-7-11(15)9-13(8-10)18-4-2/h7-9,12H,3-6,15H2,1-2H3.
What are the key properties of 3-amino-N-cyclopropyl-5-ethoxy-N-ethylbenzamide?
3-amino-N-cyclopropyl-5-ethoxy-N-ethylbenzamide has a molecular weight of 248.33 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-5-ethoxy-N-ethylbenzamide is sourced from PubChem (CID 81090601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).