N-[2-methyl-4-(2-methyl-5-propylnonan-2-yl)oxybutan-2-yl]acetamide

C20H41NO2 — CID 139395323

IUPACN-[2-methyl-4-(2-methyl-5-propylnonan-2-yl)oxybutan-2-yl]acetamide
SMILESCCCCC(CCC)CCC(C)(C)OCCC(C)(C)NC(C)=O
InChIInChI=1S/C20H41NO2/c1-8-10-12-18(11-9-2)13-14-20(6,7)23-16-15-19(4,5)21-17(3)22/h18H,8-16H2,1-7H3,(H,21,22)
InChIKeyFMJIGLMTWHTWLJ-UHFFFAOYSA-N
MW327.55 g/mol
LogP5.47
Rot. Bonds13

About N-[2-methyl-4-(2-methyl-5-propylnonan-2-yl)oxybutan-2-yl]acetamide

N-[2-methyl-4-(2-methyl-5-propylnonan-2-yl)oxybutan-2-yl]acetamide (PubChem CID 139395323) has the molecular formula C20H41NO2 and a molecular weight of 327.55 g/mol. Its IUPAC name is N-[2-methyl-4-(2-methyl-5-propylnonan-2-yl)oxybutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-4-(2-methyl-5-propylnonan-2-yl)oxybutan-2-yl]acetamide
PubChem CID139395323
Molecular FormulaC20H41NO2
Molecular Weight327.55 g/mol
Exact Mass327.31
IUPAC NameN-[2-methyl-4-(2-methyl-5-propylnonan-2-yl)oxybutan-2-yl]acetamide
SMILESCCCCC(CCC)CCC(C)(C)OCCC(C)(C)NC(C)=O
InChIInChI=1S/C20H41NO2/c1-8-10-12-18(11-9-2)13-14-20(6,7)23-16-15-19(4,5)21-17(3)22/h18H,8-16H2,1-7H3,(H,21,22)
InChIKeyFMJIGLMTWHTWLJ-UHFFFAOYSA-N
XLogP5.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.55
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2,5-dimethylnonan-2-yloxy)-2-methylbutan-2-yl]acetamide
CID 146359275
N-[4-(2,5-dimethylhexan-2-yloxy)-2-methylbutan-2-yl]acetamide
CID 139539922
N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]acetamide;propane
CID 144742441
N-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]acetamide
CID 88555245
N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]acetamide
CID 144960921
N-[3-(3-acetamido-3-methylbutoxy)-3-methylbutyl]-2-methylpropanamide;ethane
CID 166141093
N-[4-[6-(tert-butylamino)-2-methylhexan-2-yl]oxy-2-methylbutan-2-yl]acetamide
CID 162684940
N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide
CID 123807188
N-[4-(4-butoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-2-(3-butoxy-3-methylbutoxy)acetamide
CID 143784438
1-(2-azidoethyl)-3-[2-methyl-4-(2-methylhexan-2-yloxy)butan-2-yl]urea
CID 167239906
2-methyl-2-propoxyhexane
CID 91043348
N-[1-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylpropan-2-yl]acetamide
CID 153358317

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(2-methyl-5-propylnonan-2-yl)oxybutan-2-yl]acetamide?
The IUPAC name of N-[2-methyl-4-(2-methyl-5-propylnonan-2-yl)oxybutan-2-yl]acetamide (CID 139395323) is N-[2-methyl-4-(2-methyl-5-propylnonan-2-yl)oxybutan-2-yl]acetamide.
What is the SMILES notation for N-[2-methyl-4-(2-methyl-5-propylnonan-2-yl)oxybutan-2-yl]acetamide?
The canonical SMILES for N-[2-methyl-4-(2-methyl-5-propylnonan-2-yl)oxybutan-2-yl]acetamide is CCCCC(CCC)CCC(C)(C)OCCC(C)(C)NC(C)=O.
What is the InChIKey of N-[2-methyl-4-(2-methyl-5-propylnonan-2-yl)oxybutan-2-yl]acetamide?
The InChIKey is FMJIGLMTWHTWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO2/c1-8-10-12-18(11-9-2)13-14-20(6,7)23-16-15-19(4,5)21-17(3)22/h18H,8-16H2,1-7H3,(H,21,22).
What are the key properties of N-[2-methyl-4-(2-methyl-5-propylnonan-2-yl)oxybutan-2-yl]acetamide?
N-[2-methyl-4-(2-methyl-5-propylnonan-2-yl)oxybutan-2-yl]acetamide has a molecular weight of 327.55 g/mol, XLogP of 5.47, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(2-methyl-5-propylnonan-2-yl)oxybutan-2-yl]acetamide is sourced from PubChem (CID 139395323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).