ethane;2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide

C19H41NO — CID 144952637

IUPACethane;2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide
SMILESCC.CC(C)(C)CC(C)(C)NC(=O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C17H35NO.C2H6/c1-14(2,3)11-16(7,8)13(19)18-17(9,10)12-15(4,5)6;1-2/h11-12H2,1-10H3,(H,18,19);1-2H3
InChIKeyWWGDQFWOMGMXJN-UHFFFAOYSA-N
MW299.54 g/mol
LogP5.81
Rot. Bonds4

About ethane;2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide

ethane;2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide (PubChem CID 144952637) has the molecular formula C19H41NO and a molecular weight of 299.54 g/mol. Its IUPAC name is ethane;2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide.

Molecular Properties

Compound Nameethane;2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide
PubChem CID144952637
Molecular FormulaC19H41NO
Molecular Weight299.54 g/mol
Exact Mass299.32
IUPAC Nameethane;2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide
SMILESCC.CC(C)(C)CC(C)(C)NC(=O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C17H35NO.C2H6/c1-14(2,3)11-16(7,8)13(19)18-17(9,10)12-15(4,5)6;1-2/h11-12H2,1-10H3,(H,18,19);1-2H3
InChIKeyWWGDQFWOMGMXJN-UHFFFAOYSA-N
XLogP5.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.54
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-1,1,3,3-Tetramethylbutylacetamide
CID 21608
Butanamide, N-(1,1-dimethylethyl)-3,3-dimethyl-
CID 547107
Hexanedioic acid bis-[(1,1-dimethyl-butyl)-amide]
CID 651353
Pentanamide, N-tert.-butyl
CID 528625
N-t-butyl-2,2-dimethylbutyramide
CID 3512219
N-tert-butyl-2-methylpentanamide
CID 3512222
N-tert-butyl-4-methylpentanamide
CID 58689125
N-(tert-Butyl)-2-isopropyl-2,3-dimethylbutyramide
CID 101043
N-tert-butyl-2,4,4-trimethylpentanamide
CID 12436265
N-tert-butyl-2-ethyl-3,3-dimethylbutanamide
CID 58573717
2-fluoro-N-(2,4,4-trimethylpentan-2-yl)pentanamide
CID 141296696
5,5-difluoro-N-(2,4,4-trimethylpentan-2-yl)pentanamide
CID 153910063

Frequently Asked Questions

What is the IUPAC name of ethane;2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide?
The IUPAC name of ethane;2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide (CID 144952637) is ethane;2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide.
What is the SMILES notation for ethane;2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide?
The canonical SMILES for ethane;2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide is CC.CC(C)(C)CC(C)(C)NC(=O)C(C)(C)CC(C)(C)C.
What is the InChIKey of ethane;2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide?
The InChIKey is WWGDQFWOMGMXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO.C2H6/c1-14(2,3)11-16(7,8)13(19)18-17(9,10)12-15(4,5)6;1-2/h11-12H2,1-10H3,(H,18,19);1-2H3.
What are the key properties of ethane;2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide?
ethane;2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide has a molecular weight of 299.54 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide is sourced from PubChem (CID 144952637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).