3-amino-N-butan-2-yl-5-ethoxy-N-ethylbenzamide

C15H24N2O2 — CID 81090424

IUPAC3-amino-N-butan-2-yl-5-ethoxy-N-ethylbenzamide
SMILESCCOc1cc(N)cc(C(=O)N(CC)C(C)CC)c1
InChIInChI=1S/C15H24N2O2/c1-5-11(4)17(6-2)15(18)12-8-13(16)10-14(9-12)19-7-3/h8-11H,5-7,16H2,1-4H3
InChIKeyLICQSXCOICLYKM-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.93
Rot. Bonds6

About 3-amino-N-butan-2-yl-5-ethoxy-N-ethylbenzamide

3-amino-N-butan-2-yl-5-ethoxy-N-ethylbenzamide (PubChem CID 81090424) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-amino-N-butan-2-yl-5-ethoxy-N-ethylbenzamide.

Molecular Properties

Compound Name3-amino-N-butan-2-yl-5-ethoxy-N-ethylbenzamide
PubChem CID81090424
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-amino-N-butan-2-yl-5-ethoxy-N-ethylbenzamide
SMILESCCOc1cc(N)cc(C(=O)N(CC)C(C)CC)c1
InChIInChI=1S/C15H24N2O2/c1-5-11(4)17(6-2)15(18)12-8-13(16)10-14(9-12)19-7-3/h8-11H,5-7,16H2,1-4H3
InChIKeyLICQSXCOICLYKM-UHFFFAOYSA-N
XLogP2.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.93
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-5-ethoxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 81092975
3-amino-5-ethoxy-N-methyl-N-pentan-3-ylbenzamide
CID 81089701
3-amino-5-ethoxy-N-methyl-N-(2-methylpropyl)benzamide
CID 81090070
3-amino-N-cyclopropyl-5-ethoxy-N-ethylbenzamide
CID 81090601
3-amino-N,N-dibutyl-5-ethoxybenzamide
CID 81095116
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-amino-5-ethoxybenzoate
CID 81093375
3-amino-5-ethoxy-N-ethyl-N-phenylbenzamide
CID 81094810
ethyl 3-amino-5-ethoxybenzoate
CID 58424919
2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid
CID 114263436
2-hydroxypropyl 3-amino-5-ethoxybenzoate
CID 81092070
3-amino-5-ethoxy-N-pentan-3-ylbenzamide
CID 81090876
methyl 3-amino-5-ethoxybenzoate
CID 45089063

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butan-2-yl-5-ethoxy-N-ethylbenzamide?
The IUPAC name of 3-amino-N-butan-2-yl-5-ethoxy-N-ethylbenzamide (CID 81090424) is 3-amino-N-butan-2-yl-5-ethoxy-N-ethylbenzamide.
What is the SMILES notation for 3-amino-N-butan-2-yl-5-ethoxy-N-ethylbenzamide?
The canonical SMILES for 3-amino-N-butan-2-yl-5-ethoxy-N-ethylbenzamide is CCOc1cc(N)cc(C(=O)N(CC)C(C)CC)c1.
What is the InChIKey of 3-amino-N-butan-2-yl-5-ethoxy-N-ethylbenzamide?
The InChIKey is LICQSXCOICLYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-11(4)17(6-2)15(18)12-8-13(16)10-14(9-12)19-7-3/h8-11H,5-7,16H2,1-4H3.
What are the key properties of 3-amino-N-butan-2-yl-5-ethoxy-N-ethylbenzamide?
3-amino-N-butan-2-yl-5-ethoxy-N-ethylbenzamide has a molecular weight of 264.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butan-2-yl-5-ethoxy-N-ethylbenzamide is sourced from PubChem (CID 81090424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).