N-(3-amino-2,2-dimethylpropyl)-2-(4-tert-butylphenoxy)-N-methylacetamide

C18H30N2O2 — CID 119656009

IUPACN-(3-amino-2,2-dimethylpropyl)-2-(4-tert-butylphenoxy)-N-methylacetamide
SMILESCN(CC(C)(C)CN)C(=O)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H30N2O2/c1-17(2,3)14-7-9-15(10-8-14)22-11-16(21)20(6)13-18(4,5)12-19/h7-10H,11-13,19H2,1-6H3
InChIKeyDGPHXPFMGMONQX-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.81
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-2-(4-tert-butylphenoxy)-N-methylacetamide

N-(3-amino-2,2-dimethylpropyl)-2-(4-tert-butylphenoxy)-N-methylacetamide (PubChem CID 119656009) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-(4-tert-butylphenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-(4-tert-butylphenoxy)-N-methylacetamide
PubChem CID119656009
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-(4-tert-butylphenoxy)-N-methylacetamide
SMILESCN(CC(C)(C)CN)C(=O)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H30N2O2/c1-17(2,3)14-7-9-15(10-8-14)22-11-16(21)20(6)13-18(4,5)12-19/h7-10H,11-13,19H2,1-6H3
InChIKeyDGPHXPFMGMONQX-UHFFFAOYSA-N
XLogP2.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 119652613
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenoxyacetamide;hydrochloride
CID 119652959
N-(3-amino-2,2-dimethylpropyl)-2-(4-ethylphenoxy)-N-methylacetamide;hydrochloride
CID 119652992
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride
CID 119652511
N-(3-amino-2,2-dimethylpropyl)-2-(2-methoxyphenoxy)-N-methylacetamide
CID 119652382
N-(3-amino-2,2-dimethylpropyl)-4-(4-methoxyphenoxy)-N-methylbutanamide
CID 119652528
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
CID 119655442
2-(4-tert-butylphenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 56508711
N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride
CID 119655468
N-(3-amino-2,2-dimethylpropyl)-5-(4-bromophenoxy)-N-methylpentanamide
CID 119652808
2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79290860
N-[3-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-oxopropyl]-4-tert-butylbenzamide
CID 119654300

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(4-tert-butylphenoxy)-N-methylacetamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(4-tert-butylphenoxy)-N-methylacetamide (CID 119656009) is N-(3-amino-2,2-dimethylpropyl)-2-(4-tert-butylphenoxy)-N-methylacetamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-(4-tert-butylphenoxy)-N-methylacetamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-(4-tert-butylphenoxy)-N-methylacetamide is CN(CC(C)(C)CN)C(=O)COc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-(4-tert-butylphenoxy)-N-methylacetamide?
The InChIKey is DGPHXPFMGMONQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-17(2,3)14-7-9-15(10-8-14)22-11-16(21)20(6)13-18(4,5)12-19/h7-10H,11-13,19H2,1-6H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-(4-tert-butylphenoxy)-N-methylacetamide?
N-(3-amino-2,2-dimethylpropyl)-2-(4-tert-butylphenoxy)-N-methylacetamide has a molecular weight of 306.45 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-(4-tert-butylphenoxy)-N-methylacetamide is sourced from PubChem (CID 119656009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).