N-tert-butyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetamide

C12H26N2O2 — CID 106146940

IUPACN-tert-butyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetamide
SMILESCC(C)(CCO)CNCC(=O)NC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-11(2,3)14-10(16)8-13-9-12(4,5)6-7-15/h13,15H,6-9H2,1-5H3,(H,14,16)
InChIKeyWVMRXCBYNIPBLR-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.90
Rot. Bonds6

About N-tert-butyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetamide

N-tert-butyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetamide (PubChem CID 106146940) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetamide
PubChem CID106146940
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-tert-butyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetamide
SMILESCC(C)(CCO)CNCC(=O)NC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-11(2,3)14-10(16)8-13-9-12(4,5)6-7-15/h13,15H,6-9H2,1-5H3,(H,14,16)
InChIKeyWVMRXCBYNIPBLR-UHFFFAOYSA-N
XLogP0.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 106147113
N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 113278483
2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide
CID 106146856
N-tert-butyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]acetamide
CID 79551841
2-(tert-butylamino)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 103825116
propan-2-yl 2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetate
CID 106146656
ethyl 2-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]prop-2-enoate
CID 106149122
N-(1-hydroxy-3-methylpentan-3-yl)-2-(propylamino)acetamide
CID 106176447
N-(4-hydroxy-2,2-dimethylbutyl)-4-oxobutanamide
CID 154969198
N-tert-butyl-2-[(3-cyano-3-methylbutyl)amino]acetamide
CID 115356567
3,3-dimethyl-4-(2-methylpropylamino)butan-1-ol
CID 115876647
4-[(3-hydroxy-3-methylbutyl)amino]-3,3-dimethylbutan-1-ol
CID 106146641

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetamide (CID 106146940) is N-tert-butyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetamide is CC(C)(CCO)CNCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetamide?
The InChIKey is WVMRXCBYNIPBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-11(2,3)14-10(16)8-13-9-12(4,5)6-7-15/h13,15H,6-9H2,1-5H3,(H,14,16).
What are the key properties of N-tert-butyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetamide?
N-tert-butyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetamide has a molecular weight of 230.35 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetamide is sourced from PubChem (CID 106146940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).