3-amino-2,2-dimethyl-N-(3-propoxyphenyl)propanamide;hydrochloride

C14H23ClN2O2 — CID 119715008

IUPAC3-amino-2,2-dimethyl-N-(3-propoxyphenyl)propanamide;hydrochloride
SMILESCCCOc1cccc(NC(=O)C(C)(C)CN)c1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-4-8-18-12-7-5-6-11(9-12)16-13(17)14(2,3)10-15;/h5-7,9H,4,8,10,15H2,1-3H3,(H,16,17);1H
InChIKeyRGTXZNNHIKTQAT-UHFFFAOYSA-N
MW286.80 g/mol
LogP2.82
Rot. Bonds6

About 3-amino-2,2-dimethyl-N-(3-propoxyphenyl)propanamide;hydrochloride

3-amino-2,2-dimethyl-N-(3-propoxyphenyl)propanamide;hydrochloride (PubChem CID 119715008) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-N-(3-propoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-N-(3-propoxyphenyl)propanamide;hydrochloride
PubChem CID119715008
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name3-amino-2,2-dimethyl-N-(3-propoxyphenyl)propanamide;hydrochloride
SMILESCCCOc1cccc(NC(=O)C(C)(C)CN)c1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-4-8-18-12-7-5-6-11(9-12)16-13(17)14(2,3)10-15;/h5-7,9H,4,8,10,15H2,1-3H3,(H,16,17);1H
InChIKeyRGTXZNNHIKTQAT-UHFFFAOYSA-N
XLogP2.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[3-(2-methoxyethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119723463
ethyl N-(3-propoxyphenyl)carbamate
CID 60643143
3-amino-N-(3-chloro-4-propoxyphenyl)-2,2-dimethylpropanamide
CID 81489388
3-amino-2,2-dimethyl-N-(3-methylphenyl)propanamide;hydrochloride
CID 119670425
1-(3-chlorophenyl)-3-(3-propoxyphenyl)urea
CID 17096715
2-[3-(2,2-dimethylbutanoylamino)phenoxy]acetic acid
CID 62678206
N-(3-acetylphenyl)-3-amino-2,2-dimethylpropanamide
CID 81484636
3-(tert-butylamino)-N-(3-propoxyphenyl)propanamide
CID 60849225
2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-methylpentanamide;dihydrochloride
CID 119885880
3-amino-N-(4-ethoxyphenyl)-2,2-dimethylpropanamide;hydrochloride
CID 119670707
2-amino-2-methyl-N-[3-(3-methylbutoxy)phenyl]pentanamide
CID 119753505
2-(dimethylamino)-N-(3-propoxyphenyl)acetamide
CID 54843924

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-N-(3-propoxyphenyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-2,2-dimethyl-N-(3-propoxyphenyl)propanamide;hydrochloride (CID 119715008) is 3-amino-2,2-dimethyl-N-(3-propoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-2,2-dimethyl-N-(3-propoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-2,2-dimethyl-N-(3-propoxyphenyl)propanamide;hydrochloride is CCCOc1cccc(NC(=O)C(C)(C)CN)c1.Cl.
What is the InChIKey of 3-amino-2,2-dimethyl-N-(3-propoxyphenyl)propanamide;hydrochloride?
The InChIKey is RGTXZNNHIKTQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-4-8-18-12-7-5-6-11(9-12)16-13(17)14(2,3)10-15;/h5-7,9H,4,8,10,15H2,1-3H3,(H,16,17);1H.
What are the key properties of 3-amino-2,2-dimethyl-N-(3-propoxyphenyl)propanamide;hydrochloride?
3-amino-2,2-dimethyl-N-(3-propoxyphenyl)propanamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-N-(3-propoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119715008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).