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

C19H32N2O2 — CID 22598530

IUPACN-tert-butyl-2-[tert-butyl(phenylmethoxy)amino]-2-methylpropanamide
SMILESCC(C)(C)NC(=O)C(C)(C)N(OCc1ccccc1)C(C)(C)C
InChIInChI=1S/C19H32N2O2/c1-17(2,3)20-16(22)19(7,8)21(18(4,5)6)23-14-15-12-10-9-11-13-15/h9-13H,14H2,1-8H3,(H,20,22)
InChIKeyZYSLONZCXJBOFK-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.91
Rot. Bonds5

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

N-tert-butyl-2-[tert-butyl(phenylmethoxy)amino]-2-methylpropanamide (PubChem CID 22598530) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-tert-butyl-2-[tert-butyl(phenylmethoxy)amino]-2-methylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[tert-butyl(phenylmethoxy)amino]-2-methylpropanamide
PubChem CID22598530
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC NameN-tert-butyl-2-[tert-butyl(phenylmethoxy)amino]-2-methylpropanamide
SMILESCC(C)(C)NC(=O)C(C)(C)N(OCc1ccccc1)C(C)(C)C
InChIInChI=1S/C19H32N2O2/c1-17(2,3)20-16(22)19(7,8)21(18(4,5)6)23-14-15-12-10-9-11-13-15/h9-13H,14H2,1-8H3,(H,20,22)
InChIKeyZYSLONZCXJBOFK-UHFFFAOYSA-N
XLogP3.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-tert-butyl-2-[tert-butyl(phenylmethoxy)amino]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate
CID 176618004
benzyl N-[(2R)-1-(tert-butylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamate
CID 11152854
N-benzyl-N'-tert-butyl-2,2-dimethylpropanediamide
CID 108961541
benzyl N-[2-(tert-butylamino)-2-oxoacetyl]carbamate
CID 102231478
N-tert-butyl-2-phenylmethoxybenzamide
CID 4946348
N-hydroxy-N-phenylmethoxyacetamide
CID 173249339
N-phenylmethoxyacetohydrazide
CID 174450270
benzyl N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 70898291
benzyl N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]carbamate
CID 176618117
benzyl 1-[2-(tert-butylamino)-2-oxoacetyl]pyrrolidine-2-carboxylate
CID 139619480
2-chloro-2-methyl-N-phenylmethoxypropanamide
CID 141458556
2-(3-phenylmethoxypropoxy)ethyl N-tert-butylcarbamate
CID 91455636

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[tert-butyl(phenylmethoxy)amino]-2-methylpropanamide?
The IUPAC name of N-tert-butyl-2-[tert-butyl(phenylmethoxy)amino]-2-methylpropanamide (CID 22598530) is N-tert-butyl-2-[tert-butyl(phenylmethoxy)amino]-2-methylpropanamide.
What is the SMILES notation for N-tert-butyl-2-[tert-butyl(phenylmethoxy)amino]-2-methylpropanamide?
The canonical SMILES for N-tert-butyl-2-[tert-butyl(phenylmethoxy)amino]-2-methylpropanamide is CC(C)(C)NC(=O)C(C)(C)N(OCc1ccccc1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[tert-butyl(phenylmethoxy)amino]-2-methylpropanamide?
The InChIKey is ZYSLONZCXJBOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-17(2,3)20-16(22)19(7,8)21(18(4,5)6)23-14-15-12-10-9-11-13-15/h9-13H,14H2,1-8H3,(H,20,22).
What are the key properties of N-tert-butyl-2-[tert-butyl(phenylmethoxy)amino]-2-methylpropanamide?
N-tert-butyl-2-[tert-butyl(phenylmethoxy)amino]-2-methylpropanamide has a molecular weight of 320.48 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[tert-butyl(phenylmethoxy)amino]-2-methylpropanamide is sourced from PubChem (CID 22598530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).