3-amino-N-ethyl-4-[2-(2-methylpropoxy)ethoxy]benzamide

C15H24N2O3 — CID 106446783

IUPAC3-amino-N-ethyl-4-[2-(2-methylpropoxy)ethoxy]benzamide
SMILESCCNC(=O)c1ccc(OCCOCC(C)C)c(N)c1
InChIInChI=1S/C15H24N2O3/c1-4-17-15(18)12-5-6-14(13(16)9-12)20-8-7-19-10-11(2)3/h5-6,9,11H,4,7-8,10,16H2,1-3H3,(H,17,18)
InChIKeyFGUWOKXBHRGCJT-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.07
Rot. Bonds8

About 3-amino-N-ethyl-4-[2-(2-methylpropoxy)ethoxy]benzamide

3-amino-N-ethyl-4-[2-(2-methylpropoxy)ethoxy]benzamide (PubChem CID 106446783) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-[2-(2-methylpropoxy)ethoxy]benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-[2-(2-methylpropoxy)ethoxy]benzamide
PubChem CID106446783
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-amino-N-ethyl-4-[2-(2-methylpropoxy)ethoxy]benzamide
SMILESCCNC(=O)c1ccc(OCCOCC(C)C)c(N)c1
InChIInChI=1S/C15H24N2O3/c1-4-17-15(18)12-5-6-14(13(16)9-12)20-8-7-19-10-11(2)3/h5-6,9,11H,4,7-8,10,16H2,1-3H3,(H,17,18)
InChIKeyFGUWOKXBHRGCJT-UHFFFAOYSA-N
XLogP2.07
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
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-methylpropyl)-4-propoxybenzamide
CID 82070281
3-amino-N-(3-methylbutyl)-4-(2-methylpropoxy)benzamide
CID 82070423
3-amino-4-(2-methylpropoxy)-N-propan-2-ylbenzamide
CID 82070404
methyl 3-amino-4-[2-(3-methylbutoxy)ethoxy]benzoate
CID 61484298
3-amino-N-ethyl-4-(furan-2-ylmethoxy)benzamide
CID 82999492
3-bromo-N-ethyl-4-(2-methylpropoxy)benzamide
CID 17351708
2-[(3-amino-4-propoxybenzoyl)amino]butanoic acid
CID 110496617
3-amino-N-ethyl-4-[(4-methylphenyl)methoxy]benzamide
CID 82070214
3-amino-4-(2-propoxyethoxy)benzamide
CID 63684317
4-amino-N-ethyl-3-(2-hydroxyethoxy)benzamide
CID 63358641
3-amino-N-methyl-4-[2-(2-methylpropoxy)ethoxy]benzenesulfonamide
CID 106446796
4-amino-N-ethyl-3-pentoxybenzamide
CID 63358644

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-[2-(2-methylpropoxy)ethoxy]benzamide?
The IUPAC name of 3-amino-N-ethyl-4-[2-(2-methylpropoxy)ethoxy]benzamide (CID 106446783) is 3-amino-N-ethyl-4-[2-(2-methylpropoxy)ethoxy]benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-[2-(2-methylpropoxy)ethoxy]benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-[2-(2-methylpropoxy)ethoxy]benzamide is CCNC(=O)c1ccc(OCCOCC(C)C)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-[2-(2-methylpropoxy)ethoxy]benzamide?
The InChIKey is FGUWOKXBHRGCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-17-15(18)12-5-6-14(13(16)9-12)20-8-7-19-10-11(2)3/h5-6,9,11H,4,7-8,10,16H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-N-ethyl-4-[2-(2-methylpropoxy)ethoxy]benzamide?
3-amino-N-ethyl-4-[2-(2-methylpropoxy)ethoxy]benzamide has a molecular weight of 280.37 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-[2-(2-methylpropoxy)ethoxy]benzamide is sourced from PubChem (CID 106446783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).