N-tert-butyl-4-hydroxybutanamide

C8H17NO2 — CID 11829724

IUPACN-tert-butyl-4-hydroxybutanamide
SMILESCC(C)(C)NC(=O)CCCO
InChIInChI=1S/C8H17NO2/c1-8(2,3)9-7(11)5-4-6-10/h10H,4-6H2,1-3H3,(H,9,11)
InChIKeyXFQWJXBNBIDUJF-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.67
Rot. Bonds3

About N-tert-butyl-4-hydroxybutanamide

N-tert-butyl-4-hydroxybutanamide (PubChem CID 11829724) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-tert-butyl-4-hydroxybutanamide.

Molecular Properties

Compound NameN-tert-butyl-4-hydroxybutanamide
PubChem CID11829724
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-tert-butyl-4-hydroxybutanamide
SMILESCC(C)(C)NC(=O)CCCO
InChIInChI=1S/C8H17NO2/c1-8(2,3)9-7(11)5-4-6-10/h10H,4-6H2,1-3H3,(H,9,11)
InChIKeyXFQWJXBNBIDUJF-UHFFFAOYSA-N
XLogP0.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-ditert-butylhexanediamide
CID 3593481
4-hydroxy-N-(2-methylbutan-2-yl)butanamide
CID 79204830
N-tert-butyl-11,11-dimethyl-10-oxododecanamide
CID 176809093
N-tert-butyl-3-(2-hydroxyethylamino)propanamide
CID 112688508
N-tert-butylhex-5-enamide
CID 15640339
N'-tert-butyl-N-propan-2-ylundecanediamide
CID 161329550
N-[2-(4-bromophenyl)propan-2-yl]-4-hydroxybutanamide
CID 79203736
5-bromo-N-[3-(tert-butylamino)-3-oxopropyl]pentanamide
CID 107910537
N-ethoxy-4-hydroxybutanamide
CID 79191598
N-tert-butyl-7,11-dipropyltetradecanamide
CID 144715726
[5-(tert-butylamino)-5-oxopentyl] prop-2-enoate
CID 59532918
N-tert-butyl-4-(2,5-dimethylpyrrol-1-yl)butanamide
CID 3066543

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-hydroxybutanamide?
The IUPAC name of N-tert-butyl-4-hydroxybutanamide (CID 11829724) is N-tert-butyl-4-hydroxybutanamide.
What is the SMILES notation for N-tert-butyl-4-hydroxybutanamide?
The canonical SMILES for N-tert-butyl-4-hydroxybutanamide is CC(C)(C)NC(=O)CCCO.
What is the InChIKey of N-tert-butyl-4-hydroxybutanamide?
The InChIKey is XFQWJXBNBIDUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(2,3)9-7(11)5-4-6-10/h10H,4-6H2,1-3H3,(H,9,11).
What are the key properties of N-tert-butyl-4-hydroxybutanamide?
N-tert-butyl-4-hydroxybutanamide has a molecular weight of 159.23 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-hydroxybutanamide is sourced from PubChem (CID 11829724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).