N-tert-butyl-2-[tert-butyl(but-3-ynyl)amino]-2-methylpropanamide

C16H30N2O — CID 142003659

IUPACN-tert-butyl-2-[tert-butyl(but-3-ynyl)amino]-2-methylpropanamide
SMILESC#CCCN(C(C)(C)C)C(C)(C)C(=O)NC(C)(C)C
InChIInChI=1S/C16H30N2O/c1-10-11-12-18(15(5,6)7)16(8,9)13(19)17-14(2,3)4/h1H,11-12H2,2-9H3,(H,17,19)
InChIKeyZZRLXDQHKGHMCO-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.80
Rot. Bonds4

About N-tert-butyl-2-[tert-butyl(but-3-ynyl)amino]-2-methylpropanamide

N-tert-butyl-2-[tert-butyl(but-3-ynyl)amino]-2-methylpropanamide (PubChem CID 142003659) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-tert-butyl-2-[tert-butyl(but-3-ynyl)amino]-2-methylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[tert-butyl(but-3-ynyl)amino]-2-methylpropanamide
PubChem CID142003659
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-tert-butyl-2-[tert-butyl(but-3-ynyl)amino]-2-methylpropanamide
SMILESC#CCCN(C(C)(C)C)C(C)(C)C(=O)NC(C)(C)C
InChIInChI=1S/C16H30N2O/c1-10-11-12-18(15(5,6)7)16(8,9)13(19)17-14(2,3)4/h1H,11-12H2,2-9H3,(H,17,19)
InChIKeyZZRLXDQHKGHMCO-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[tert-butyl(but-3-ynyl)amino]-2-methylpropanamide?
The IUPAC name of N-tert-butyl-2-[tert-butyl(but-3-ynyl)amino]-2-methylpropanamide (CID 142003659) is N-tert-butyl-2-[tert-butyl(but-3-ynyl)amino]-2-methylpropanamide.
What is the SMILES notation for N-tert-butyl-2-[tert-butyl(but-3-ynyl)amino]-2-methylpropanamide?
The canonical SMILES for N-tert-butyl-2-[tert-butyl(but-3-ynyl)amino]-2-methylpropanamide is C#CCCN(C(C)(C)C)C(C)(C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[tert-butyl(but-3-ynyl)amino]-2-methylpropanamide?
The InChIKey is ZZRLXDQHKGHMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-10-11-12-18(15(5,6)7)16(8,9)13(19)17-14(2,3)4/h1H,11-12H2,2-9H3,(H,17,19).
What are the key properties of N-tert-butyl-2-[tert-butyl(but-3-ynyl)amino]-2-methylpropanamide?
N-tert-butyl-2-[tert-butyl(but-3-ynyl)amino]-2-methylpropanamide has a molecular weight of 266.43 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[tert-butyl(but-3-ynyl)amino]-2-methylpropanamide is sourced from PubChem (CID 142003659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).