4-amino-N-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide

C15H24N2O3 — CID 115941798

IUPAC4-amino-N-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide
SMILESCCNC(=O)c1ccc(N)c(OCCOC(C)(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-5-17-14(18)11-6-7-12(16)13(10-11)19-8-9-20-15(2,3)4/h6-7,10H,5,8-9,16H2,1-4H3,(H,17,18)
InChIKeyRJLBRQKQPCASFN-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.21
Rot. Bonds6

About 4-amino-N-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide

4-amino-N-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide (PubChem CID 115941798) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide
PubChem CID115941798
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-amino-N-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide
SMILESCCNC(=O)c1ccc(N)c(OCCOC(C)(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-5-17-14(18)11-6-7-12(16)13(10-11)19-8-9-20-15(2,3)4/h6-7,10H,5,8-9,16H2,1-4H3,(H,17,18)
InChIKeyRJLBRQKQPCASFN-UHFFFAOYSA-N
XLogP2.21
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.21
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

4-amino-N-ethyl-3-(2-hydroxyethoxy)benzamide
CID 63358641
4-amino-N-ethyl-3-pentoxybenzamide
CID 63358644
methyl 4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoate
CID 112588482
4-amino-N,N-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide
CID 115941779
ethyl 4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoate
CID 115942374
4-amino-3-propoxy-N-propylbenzamide
CID 82069804
4-amino-3-(cyclohexylmethoxy)-N-ethylbenzamide
CID 63358647
4-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline
CID 112587064
3-amino-N-ethyl-4-[2-(2-methylpropoxy)ethoxy]benzamide
CID 106446783
4-amino-3-butoxy-N-methylbenzamide
CID 63357456
4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonamide
CID 112587096
4-amino-N-(2,2-dimethylbutyl)-3-methoxybenzamide
CID 103459930

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide?
The IUPAC name of 4-amino-N-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide (CID 115941798) is 4-amino-N-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide.
What is the SMILES notation for 4-amino-N-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide?
The canonical SMILES for 4-amino-N-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide is CCNC(=O)c1ccc(N)c(OCCOC(C)(C)C)c1.
What is the InChIKey of 4-amino-N-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide?
The InChIKey is RJLBRQKQPCASFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-17-14(18)11-6-7-12(16)13(10-11)19-8-9-20-15(2,3)4/h6-7,10H,5,8-9,16H2,1-4H3,(H,17,18).
What are the key properties of 4-amino-N-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide?
4-amino-N-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide has a molecular weight of 280.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide is sourced from PubChem (CID 115941798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).