2-butoxy-N,N-dibutyl-5-methylaniline;2-(2-methylpropoxy)benzamide

C30H48N2O3 — CID 90951467

IUPAC2-butoxy-N,N-dibutyl-5-methylaniline;2-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccccc1C(N)=O.CCCCOc1ccc(C)cc1N(CCCC)CCCC
InChIInChI=1S/C19H33NO.C11H15NO2/c1-5-8-13-20(14-9-6-2)18-16-17(4)11-12-19(18)21-15-10-7-3;1-8(2)7-14-10-6-4-3-5-9(10)11(12)13/h11-12,16H,5-10,13-15H2,1-4H3;3-6,8H,7H2,1-2H3,(H2,12,13)
InChIKeyOUQUYKWBMJJKFX-UHFFFAOYSA-N
MW484.73 g/mol
LogP7.40
Rot. Bonds15

About 2-butoxy-N,N-dibutyl-5-methylaniline;2-(2-methylpropoxy)benzamide

2-butoxy-N,N-dibutyl-5-methylaniline;2-(2-methylpropoxy)benzamide (PubChem CID 90951467) has the molecular formula C30H48N2O3 and a molecular weight of 484.73 g/mol. Its IUPAC name is 2-butoxy-N,N-dibutyl-5-methylaniline;2-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name2-butoxy-N,N-dibutyl-5-methylaniline;2-(2-methylpropoxy)benzamide
PubChem CID90951467
Molecular FormulaC30H48N2O3
Molecular Weight484.73 g/mol
Exact Mass484.37
IUPAC Name2-butoxy-N,N-dibutyl-5-methylaniline;2-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccccc1C(N)=O.CCCCOc1ccc(C)cc1N(CCCC)CCCC
InChIInChI=1S/C19H33NO.C11H15NO2/c1-5-8-13-20(14-9-6-2)18-16-17(4)11-12-19(18)21-15-10-7-3;1-8(2)7-14-10-6-4-3-5-9(10)11(12)13/h11-12,16H,5-10,13-15H2,1-4H3;3-6,8H,7H2,1-2H3,(H2,12,13)
InChIKeyOUQUYKWBMJJKFX-UHFFFAOYSA-N
XLogP7.40
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.73
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-N,N-dibutyl-5-methylaniline;N,N-diethyldodecanamide;2,4-dimethylphenol;1-N,3-N-dipropylbenzene-1,3-dicarboxamide;methane;2-(2-methylpropoxy)benzamide
CID 161186932
5-methyl-2-(2-methylpropoxy)benzenecarbothioamide
CID 107929464
2-[[butyl(methyl)amino]methoxy]benzamide
CID 39255586
2-(2-butoxyphenyl)benzamide
CID 174985404
5-amino-2-butoxybenzamide
CID 61305277
2-[(2R)-3-hydroxy-2-methylpropoxy]benzamide
CID 154452638
4-(2-methylpropoxy)benzene-1,3-dicarboxamide
CID 162371646
zinc bis(2-butoxybenzoate)
CID 67242742
[3-(2-butoxybenzoyl)oxy-2-hydroxypropyl] 2-butoxybenzoate
CID 71171913
2-[[2-(2-methylpropoxy)benzoyl]amino]benzamide
CID 4945319
2-butoxy-N,N-dibutyl-5-tert-butylaniline
CID 71406023
2-(2-hydroxyethoxy)-4-methylbenzamide
CID 67742497

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N,N-dibutyl-5-methylaniline;2-(2-methylpropoxy)benzamide?
The IUPAC name of 2-butoxy-N,N-dibutyl-5-methylaniline;2-(2-methylpropoxy)benzamide (CID 90951467) is 2-butoxy-N,N-dibutyl-5-methylaniline;2-(2-methylpropoxy)benzamide.
What is the SMILES notation for 2-butoxy-N,N-dibutyl-5-methylaniline;2-(2-methylpropoxy)benzamide?
The canonical SMILES for 2-butoxy-N,N-dibutyl-5-methylaniline;2-(2-methylpropoxy)benzamide is CC(C)COc1ccccc1C(N)=O.CCCCOc1ccc(C)cc1N(CCCC)CCCC.
What is the InChIKey of 2-butoxy-N,N-dibutyl-5-methylaniline;2-(2-methylpropoxy)benzamide?
The InChIKey is OUQUYKWBMJJKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO.C11H15NO2/c1-5-8-13-20(14-9-6-2)18-16-17(4)11-12-19(18)21-15-10-7-3;1-8(2)7-14-10-6-4-3-5-9(10)11(12)13/h11-12,16H,5-10,13-15H2,1-4H3;3-6,8H,7H2,1-2H3,(H2,12,13).
What are the key properties of 2-butoxy-N,N-dibutyl-5-methylaniline;2-(2-methylpropoxy)benzamide?
2-butoxy-N,N-dibutyl-5-methylaniline;2-(2-methylpropoxy)benzamide has a molecular weight of 484.73 g/mol, XLogP of 7.40, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N,N-dibutyl-5-methylaniline;2-(2-methylpropoxy)benzamide is sourced from PubChem (CID 90951467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).