2-tert-butyl-N-[4-(dimethylamino)-2,4-dimethylpentan-2-yl]-4,4-dimethylpentanamide

C20H42N2O — CID 143433202

IUPAC2-tert-butyl-N-[4-(dimethylamino)-2,4-dimethylpentan-2-yl]-4,4-dimethylpentanamide
SMILESCN(C)C(C)(C)CC(C)(C)NC(=O)C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C20H42N2O/c1-17(2,3)13-15(18(4,5)6)16(23)21-19(7,8)14-20(9,10)22(11)12/h15H,13-14H2,1-12H3,(H,21,23)
InChIKeyHNARAARBDFTDQV-UHFFFAOYSA-N
MW326.57 g/mol
LogP4.71
Rot. Bonds6

About 2-tert-butyl-N-[4-(dimethylamino)-2,4-dimethylpentan-2-yl]-4,4-dimethylpentanamide

2-tert-butyl-N-[4-(dimethylamino)-2,4-dimethylpentan-2-yl]-4,4-dimethylpentanamide (PubChem CID 143433202) has the molecular formula C20H42N2O and a molecular weight of 326.57 g/mol. Its IUPAC name is 2-tert-butyl-N-[4-(dimethylamino)-2,4-dimethylpentan-2-yl]-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-tert-butyl-N-[4-(dimethylamino)-2,4-dimethylpentan-2-yl]-4,4-dimethylpentanamide
PubChem CID143433202
Molecular FormulaC20H42N2O
Molecular Weight326.57 g/mol
Exact Mass326.33
IUPAC Name2-tert-butyl-N-[4-(dimethylamino)-2,4-dimethylpentan-2-yl]-4,4-dimethylpentanamide
SMILESCN(C)C(C)(C)CC(C)(C)NC(=O)C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C20H42N2O/c1-17(2,3)13-15(18(4,5)6)16(23)21-19(7,8)14-20(9,10)22(11)12/h15H,13-14H2,1-12H3,(H,21,23)
InChIKeyHNARAARBDFTDQV-UHFFFAOYSA-N
XLogP4.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.57
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-N-ethyl-4,4-dimethylpentanamide
CID 88561290
N-(2-amino-2-oxoethyl)-2-tert-butyl-4,4-dimethylpentanamide
CID 88988167
2-tert-butyl-4,4-dimethyl-N-propylpentanamide
CID 121265105
2-tert-butyl-N-carbamoyl-4,4-dimethylpentanamide
CID 144616082
2-tert-butyl-N-cyclohexyl-4,4-dimethylpentanamide
CID 170128023
3-tert-butyl-5,5-dimethylhexan-2-one
CID 89376831
2-tert-butyl-4,4-dimethyl-N-[3-(methylamino)propyl]pentanamide
CID 170128200
N-(2-tert-butyl-4,4-dimethylpentanoyl)-fluorophosphonamidic acid
CID 142069117
2-amino-3,3-dimethyl-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 76887560
2-tert-butyl-4,4-dimethyl-N-[(2E,3Z)-4-methyl-2-(2-methylprop-2-enylidene)hexa-3,5-dienyl]pentanamide
CID 130437627
4-tert-butyl-2,2,6,6-tetramethylheptan-3-one
CID 157168171
2-tert-butyl-N-dodecyl-4,4-dimethylpentanamide
CID 89331176

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[4-(dimethylamino)-2,4-dimethylpentan-2-yl]-4,4-dimethylpentanamide?
The IUPAC name of 2-tert-butyl-N-[4-(dimethylamino)-2,4-dimethylpentan-2-yl]-4,4-dimethylpentanamide (CID 143433202) is 2-tert-butyl-N-[4-(dimethylamino)-2,4-dimethylpentan-2-yl]-4,4-dimethylpentanamide.
What is the SMILES notation for 2-tert-butyl-N-[4-(dimethylamino)-2,4-dimethylpentan-2-yl]-4,4-dimethylpentanamide?
The canonical SMILES for 2-tert-butyl-N-[4-(dimethylamino)-2,4-dimethylpentan-2-yl]-4,4-dimethylpentanamide is CN(C)C(C)(C)CC(C)(C)NC(=O)C(CC(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-[4-(dimethylamino)-2,4-dimethylpentan-2-yl]-4,4-dimethylpentanamide?
The InChIKey is HNARAARBDFTDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2O/c1-17(2,3)13-15(18(4,5)6)16(23)21-19(7,8)14-20(9,10)22(11)12/h15H,13-14H2,1-12H3,(H,21,23).
What are the key properties of 2-tert-butyl-N-[4-(dimethylamino)-2,4-dimethylpentan-2-yl]-4,4-dimethylpentanamide?
2-tert-butyl-N-[4-(dimethylamino)-2,4-dimethylpentan-2-yl]-4,4-dimethylpentanamide has a molecular weight of 326.57 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[4-(dimethylamino)-2,4-dimethylpentan-2-yl]-4,4-dimethylpentanamide is sourced from PubChem (CID 143433202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).