2-tert-butyl-N-(2-hydroxypropyl)-2,3,3-trimethylbutanamide

C14H29NO2 — CID 88557518

IUPAC2-tert-butyl-N-(2-hydroxypropyl)-2,3,3-trimethylbutanamide
SMILESCC(O)CNC(=O)C(C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H29NO2/c1-10(16)9-15-11(17)14(8,12(2,3)4)13(5,6)7/h10,16H,9H2,1-8H3,(H,15,17)
InChIKeyZRUIAZJRMDQTPW-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.58
Rot. Bonds3

About 2-tert-butyl-N-(2-hydroxypropyl)-2,3,3-trimethylbutanamide

2-tert-butyl-N-(2-hydroxypropyl)-2,3,3-trimethylbutanamide (PubChem CID 88557518) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-tert-butyl-N-(2-hydroxypropyl)-2,3,3-trimethylbutanamide.

Molecular Properties

Compound Name2-tert-butyl-N-(2-hydroxypropyl)-2,3,3-trimethylbutanamide
PubChem CID88557518
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-tert-butyl-N-(2-hydroxypropyl)-2,3,3-trimethylbutanamide
SMILESCC(O)CNC(=O)C(C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H29NO2/c1-10(16)9-15-11(17)14(8,12(2,3)4)13(5,6)7/h10,16H,9H2,1-8H3,(H,15,17)
InChIKeyZRUIAZJRMDQTPW-UHFFFAOYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxypropyl)-2,2-dimethyl-3-sulfanylpropanamide
CID 87450490
5-ethyl-N-(2-hydroxypropyl)-2,2,3,3,5,6,6-heptamethylheptanamide
CID 130388255
2-(tert-butylamino)-N-[(2R)-2-hydroxypropyl]acetamide
CID 103884721
2-(4-chlorophenyl)-N-(2-hydroxypropyl)-2-methylpropanamide
CID 110466162
N-[2-(2-hydroxypropylamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 110902978
5-(2-hydroxypropylamino)-2,2-dimethylhex-4-en-3-one
CID 72589795
3-[[4-(2-hydroxypropylcarbamoyl)-2,2,4-trimethylhexanoyl]amino]propyl-trimethylazanium
CID 58271441
3-[(2S)-2-hydroxypropyl]-1,1-dimethylurea
CID 83038984
N-[(2S)-2-hydroxypropyl]-3-oxobutanamide
CID 107856858
2-bromo-N-(2-hydroxypropyl)acetamide
CID 63679537
3-amino-2,2,3-trimethyl-N-(2,3,3-trimethylbutyl)butanamide
CID 83142759
2-ethyl-N-[(2R)-2-hydroxypropyl]butanamide
CID 39236453

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(2-hydroxypropyl)-2,3,3-trimethylbutanamide?
The IUPAC name of 2-tert-butyl-N-(2-hydroxypropyl)-2,3,3-trimethylbutanamide (CID 88557518) is 2-tert-butyl-N-(2-hydroxypropyl)-2,3,3-trimethylbutanamide.
What is the SMILES notation for 2-tert-butyl-N-(2-hydroxypropyl)-2,3,3-trimethylbutanamide?
The canonical SMILES for 2-tert-butyl-N-(2-hydroxypropyl)-2,3,3-trimethylbutanamide is CC(O)CNC(=O)C(C)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-(2-hydroxypropyl)-2,3,3-trimethylbutanamide?
The InChIKey is ZRUIAZJRMDQTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-10(16)9-15-11(17)14(8,12(2,3)4)13(5,6)7/h10,16H,9H2,1-8H3,(H,15,17).
What are the key properties of 2-tert-butyl-N-(2-hydroxypropyl)-2,3,3-trimethylbutanamide?
2-tert-butyl-N-(2-hydroxypropyl)-2,3,3-trimethylbutanamide has a molecular weight of 243.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2-hydroxypropyl)-2,3,3-trimethylbutanamide is sourced from PubChem (CID 88557518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).