N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-propoxyphenoxy)acetamide

C17H28N2O3 — CID 119652613

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-propoxyphenoxy)acetamide
SMILESCCCOc1ccc(OCC(=O)N(C)CC(C)(C)CN)cc1
InChIInChI=1S/C17H28N2O3/c1-5-10-21-14-6-8-15(9-7-14)22-11-16(20)19(4)13-17(2,3)12-18/h6-9H,5,10-13,18H2,1-4H3
InChIKeyUEHBYQNWIASAON-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.30
Rot. Bonds9

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-propoxyphenoxy)acetamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-propoxyphenoxy)acetamide (PubChem CID 119652613) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-propoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-propoxyphenoxy)acetamide
PubChem CID119652613
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-propoxyphenoxy)acetamide
SMILESCCCOc1ccc(OCC(=O)N(C)CC(C)(C)CN)cc1
InChIInChI=1S/C17H28N2O3/c1-5-10-21-14-6-8-15(9-7-14)22-11-16(20)19(4)13-17(2,3)12-18/h6-9H,5,10-13,18H2,1-4H3
InChIKeyUEHBYQNWIASAON-UHFFFAOYSA-N
XLogP2.30
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-(4-tert-butylphenoxy)-N-methylacetamide
CID 119656009
N-(3-amino-2,2-dimethylpropyl)-2-(4-ethylphenoxy)-N-methylacetamide;hydrochloride
CID 119652992
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenoxyacetamide;hydrochloride
CID 119652959
N-(3-amino-2,2-dimethylpropyl)-4-(4-methoxyphenoxy)-N-methylbutanamide
CID 119652528
N-butyl-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 86907760
N',2,2-trimethyl-N'-[2-(4-propoxyphenoxy)ethyl]propane-1,3-diamine
CID 79648025
N-(3-amino-2,2-dimethylpropyl)-5-(4-bromophenoxy)-N-methylpentanamide
CID 119652808
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride
CID 119652511
N-(3-amino-2,2-dimethylpropyl)-4-(2-methoxyethoxy)-N-methylbenzamide
CID 119654669
N-(3-amino-2,2-dimethylpropyl)-2-(2-methoxyphenoxy)-N-methylacetamide
CID 119652382
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
CID 119655442
N-(3-amino-2,2-dimethylpropyl)-4-(3-methoxypropoxy)-N-methylbenzamide;hydrochloride
CID 119654733

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-propoxyphenoxy)acetamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-propoxyphenoxy)acetamide (CID 119652613) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-propoxyphenoxy)acetamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-propoxyphenoxy)acetamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-propoxyphenoxy)acetamide is CCCOc1ccc(OCC(=O)N(C)CC(C)(C)CN)cc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-propoxyphenoxy)acetamide?
The InChIKey is UEHBYQNWIASAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-5-10-21-14-6-8-15(9-7-14)22-11-16(20)19(4)13-17(2,3)12-18/h6-9H,5,10-13,18H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-propoxyphenoxy)acetamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-propoxyphenoxy)acetamide has a molecular weight of 308.42 g/mol, XLogP of 2.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-propoxyphenoxy)acetamide is sourced from PubChem (CID 119652613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).