N-butyl-2-[tert-butyl(hydroxy)amino]-2-methylpropanamide

C12H26N2O2 — CID 23563828

IUPACN-butyl-2-[tert-butyl(hydroxy)amino]-2-methylpropanamide
SMILESCCCCNC(=O)C(C)(C)N(O)C(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-7-8-9-13-10(15)12(5,6)14(16)11(2,3)4/h16H,7-9H2,1-6H3,(H,13,15)
InChIKeyUJKXQHGIIMZSBW-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.17
Rot. Bonds5

About N-butyl-2-[tert-butyl(hydroxy)amino]-2-methylpropanamide

N-butyl-2-[tert-butyl(hydroxy)amino]-2-methylpropanamide (PubChem CID 23563828) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-butyl-2-[tert-butyl(hydroxy)amino]-2-methylpropanamide.

Molecular Properties

Compound NameN-butyl-2-[tert-butyl(hydroxy)amino]-2-methylpropanamide
PubChem CID23563828
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-butyl-2-[tert-butyl(hydroxy)amino]-2-methylpropanamide
SMILESCCCCNC(=O)C(C)(C)N(O)C(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-7-8-9-13-10(15)12(5,6)14(16)11(2,3)4/h16H,7-9H2,1-6H3,(H,13,15)
InChIKeyUJKXQHGIIMZSBW-UHFFFAOYSA-N
XLogP2.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[tert-butyl(hydroxy)amino]-2-methylpropanamide?
The IUPAC name of N-butyl-2-[tert-butyl(hydroxy)amino]-2-methylpropanamide (CID 23563828) is N-butyl-2-[tert-butyl(hydroxy)amino]-2-methylpropanamide.
What is the SMILES notation for N-butyl-2-[tert-butyl(hydroxy)amino]-2-methylpropanamide?
The canonical SMILES for N-butyl-2-[tert-butyl(hydroxy)amino]-2-methylpropanamide is CCCCNC(=O)C(C)(C)N(O)C(C)(C)C.
What is the InChIKey of N-butyl-2-[tert-butyl(hydroxy)amino]-2-methylpropanamide?
The InChIKey is UJKXQHGIIMZSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-7-8-9-13-10(15)12(5,6)14(16)11(2,3)4/h16H,7-9H2,1-6H3,(H,13,15).
What are the key properties of N-butyl-2-[tert-butyl(hydroxy)amino]-2-methylpropanamide?
N-butyl-2-[tert-butyl(hydroxy)amino]-2-methylpropanamide has a molecular weight of 230.35 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[tert-butyl(hydroxy)amino]-2-methylpropanamide is sourced from PubChem (CID 23563828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).