2-methylpropane;propane;N-(2,2,4,4-tetramethylhexyl)propanamide

C20H45NO — CID 167513354

IUPAC2-methylpropane;propane;N-(2,2,4,4-tetramethylhexyl)propanamide
SMILESCC(C)C.CCC.CCC(=O)NCC(C)(C)CC(C)(C)CC
InChIInChI=1S/C13H27NO.C4H10.C3H8/c1-7-11(15)14-10-13(5,6)9-12(3,4)8-2;1-4(2)3;1-3-2/h7-10H2,1-6H3,(H,14,15);4H,1-3H3;3H2,1-2H3
InChIKeyYYYDHTDTPKRCSM-UHFFFAOYSA-N
MW315.59 g/mol
LogP6.44
Rot. Bonds6

About 2-methylpropane;propane;N-(2,2,4,4-tetramethylhexyl)propanamide

2-methylpropane;propane;N-(2,2,4,4-tetramethylhexyl)propanamide (PubChem CID 167513354) has the molecular formula C20H45NO and a molecular weight of 315.59 g/mol. Its IUPAC name is 2-methylpropane;propane;N-(2,2,4,4-tetramethylhexyl)propanamide.

Molecular Properties

Compound Name2-methylpropane;propane;N-(2,2,4,4-tetramethylhexyl)propanamide
PubChem CID167513354
Molecular FormulaC20H45NO
Molecular Weight315.59 g/mol
Exact Mass315.35
IUPAC Name2-methylpropane;propane;N-(2,2,4,4-tetramethylhexyl)propanamide
SMILESCC(C)C.CCC.CCC(=O)NCC(C)(C)CC(C)(C)CC
InChIInChI=1S/C13H27NO.C4H10.C3H8/c1-7-11(15)14-10-13(5,6)9-12(3,4)8-2;1-4(2)3;1-3-2/h7-10H2,1-6H3,(H,14,15);4H,1-3H3;3H2,1-2H3
InChIKeyYYYDHTDTPKRCSM-UHFFFAOYSA-N
XLogP6.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.59
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 59842400
N-(2,2-dimethylbutyl)-3-(ethylamino)butanamide
CID 103461491
N-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]propanamide
CID 130332874
(2S)-2-(2,2-dimethylbutylcarbamoylamino)propanoic acid
CID 103463188
3,3-dimethyl-N-propan-2-ylpentanamide
CID 89006014
2,2,4,4-tetramethyl-N-(2,2,3,3-tetramethylpentyl)hexanamide
CID 178052138
4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]butanamide
CID 169106822
3-[2-hydroxyethyl-[2-(2-hydroxyethylamino)ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide
CID 90920758
methanamine;propane;2,2,3-trimethyl-N-(2,2,4,4-tetramethyl-6-oxoheptyl)butanamide
CID 144742394
ethane;3,3,5,5-tetramethyl-N-(2,2,4,4,5-pentamethylhexyl)hexanamide
CID 178061969
3-(aminomethyl)-N-(2,2-dimethylbutyl)pentanamide
CID 103461469
3-[2-(2-hydroxyethylamino)ethyl-[3-oxo-3-(2,2,4,4-tetramethylhexylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide
CID 90867767

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;propane;N-(2,2,4,4-tetramethylhexyl)propanamide?
The IUPAC name of 2-methylpropane;propane;N-(2,2,4,4-tetramethylhexyl)propanamide (CID 167513354) is 2-methylpropane;propane;N-(2,2,4,4-tetramethylhexyl)propanamide.
What is the SMILES notation for 2-methylpropane;propane;N-(2,2,4,4-tetramethylhexyl)propanamide?
The canonical SMILES for 2-methylpropane;propane;N-(2,2,4,4-tetramethylhexyl)propanamide is CC(C)C.CCC.CCC(=O)NCC(C)(C)CC(C)(C)CC.
What is the InChIKey of 2-methylpropane;propane;N-(2,2,4,4-tetramethylhexyl)propanamide?
The InChIKey is YYYDHTDTPKRCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO.C4H10.C3H8/c1-7-11(15)14-10-13(5,6)9-12(3,4)8-2;1-4(2)3;1-3-2/h7-10H2,1-6H3,(H,14,15);4H,1-3H3;3H2,1-2H3.
What are the key properties of 2-methylpropane;propane;N-(2,2,4,4-tetramethylhexyl)propanamide?
2-methylpropane;propane;N-(2,2,4,4-tetramethylhexyl)propanamide has a molecular weight of 315.59 g/mol, XLogP of 6.44, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;propane;N-(2,2,4,4-tetramethylhexyl)propanamide is sourced from PubChem (CID 167513354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).