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

C69H115N5O7 — CID 161186932

IUPAC2-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
SMILESC.CC(C)COc1ccccc1C(N)=O.CCCCCCCCCCCC(=O)N(CC)CC.CCCCOc1ccc(C)cc1N(CCCC)CCCC.CCCNC(=O)c1cccc(C(=O)NCCC)c1.Cc1ccc(O)c(C)c1
InChIInChI=1S/C19H33NO.C16H33NO.C14H20N2O2.C11H15NO2.C8H10O.CH4/c1-5-8-13-20(14-9-6-2)18-16-17(4)11-12-19(18)21-15-10-7-3;1-4-7-8-9-10-11-12-13-14-15-16(18)17(5-2)6-3;1-3-8-15-13(17)11-6-5-7-12(10-11)14(18)16-9-4-2;1-8(2)7-14-10-6-4-3-5-9(10)11(12)13;1-6-3-4-8(9)7(2)5-6;/h11-12,16H,5-10,13-15H2,1-4H3;4-15H2,1-3H3;5-7,10H,3-4,8-9H2,1-2H3,(H,15,17)(H,16,18);3-6,8H,7H2,1-2H3,(H2,12,13);3-5,9H,1-2H3;1H4
InChIKeyUTEYACVKMVSOQE-UHFFFAOYSA-N
MW1126.71 g/mol
LogP16.79
Rot. Bonds33

About 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

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 (PubChem CID 161186932) has the molecular formula C69H115N5O7 and a molecular weight of 1126.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID161186932
Molecular FormulaC69H115N5O7
Molecular Weight1126.71 g/mol
Exact Mass1125.88
IUPAC Name2-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
SMILESC.CC(C)COc1ccccc1C(N)=O.CCCCCCCCCCCC(=O)N(CC)CC.CCCCOc1ccc(C)cc1N(CCCC)CCCC.CCCNC(=O)c1cccc(C(=O)NCCC)c1.Cc1ccc(O)c(C)c1
InChIInChI=1S/C19H33NO.C16H33NO.C14H20N2O2.C11H15NO2.C8H10O.CH4/c1-5-8-13-20(14-9-6-2)18-16-17(4)11-12-19(18)21-15-10-7-3;1-4-7-8-9-10-11-12-13-14-15-16(18)17(5-2)6-3;1-3-8-15-13(17)11-6-5-7-12(10-11)14(18)16-9-4-2;1-8(2)7-14-10-6-4-3-5-9(10)11(12)13;1-6-3-4-8(9)7(2)5-6;/h11-12,16H,5-10,13-15H2,1-4H3;4-15H2,1-3H3;5-7,10H,3-4,8-9H2,1-2H3,(H,15,17)(H,16,18);3-6,8H,7H2,1-2H3,(H2,12,13);3-5,9H,1-2H3;1H4
InChIKeyUTEYACVKMVSOQE-UHFFFAOYSA-N
XLogP16.79
TPSA163.53 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds33
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001126.71
LogP ≤ 516.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-butoxy-N,N-dibutyl-5-methylaniline;2-(2-methylpropoxy)benzamide
CID 90951467
N-[2-(2,4-dimethylphenoxy)ethyl]-2-hydroxybenzamide
CID 31448668
2-[2-[[3-(3-hydroxyphenyl)benzoyl]amino]ethoxy]benzamide
CID 171675779
N-(2-aminoethyl)-2-hexoxybenzamide
CID 90319052
2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide
CID 17233378
3-(diethylsulfamoyl)-N-[2-(2,4-dimethylphenoxy)ethyl]benzamide
CID 9194405
2-hexoxy-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079617
ethyl 3-(tetradecylcarbamoyl)benzoate
CID 163748479
N-(2,4-dimethylphenyl)-2-pentoxybenzamide
CID 4946491
N-[2-(2,4-dimethylphenoxy)ethyl]-3-iodobenzamide
CID 100514188
nonyl 3-[(3-methylbenzoyl)amino]propanoate
CID 91710771
N-[[3-(butylcarbamoyl)phenyl]carbamothioyl]-2-hexoxybenzamide
CID 17197260

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.CC(C)COc1ccccc1C(N)=O.CCCCCCCCCCCC(=O)N(CC)CC.CCCCOc1ccc(C)cc1N(CCCC)CCCC.CCCNC(=O)c1cccc(C(=O)NCCC)c1.Cc1ccc(O)c(C)c1.
What is the InChIKey of 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?
The InChIKey is UTEYACVKMVSOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO.C16H33NO.C14H20N2O2.C11H15NO2.C8H10O.CH4/c1-5-8-13-20(14-9-6-2)18-16-17(4)11-12-19(18)21-15-10-7-3;1-4-7-8-9-10-11-12-13-14-15-16(18)17(5-2)6-3;1-3-8-15-13(17)11-6-5-7-12(10-11)14(18)16-9-4-2;1-8(2)7-14-10-6-4-3-5-9(10)11(12)13;1-6-3-4-8(9)7(2)5-6;/h11-12,16H,5-10,13-15H2,1-4H3;4-15H2,1-3H3;5-7,10H,3-4,8-9H2,1-2H3,(H,15,17)(H,16,18);3-6,8H,7H2,1-2H3,(H2,12,13);3-5,9H,1-2H3;1H4.
What are the key properties of 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?
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 has a molecular weight of 1126.71 g/mol, XLogP of 16.79, 33 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161186932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).