3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide;hydrochloride

C14H23ClN2O2 — CID 119680480

IUPAC3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide;hydrochloride
SMILESCOc1ccc(CN(C)C(=O)C(C)(C)CN)cc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-14(2,10-15)13(17)16(3)9-11-5-7-12(18-4)8-6-11;/h5-8H,9-10,15H2,1-4H3;1H
InChIKeyHGWAUAFFXRTGNA-UHFFFAOYSA-N
MW286.80 g/mol
LogP2.06
Rot. Bonds5

About 3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide;hydrochloride

3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide;hydrochloride (PubChem CID 119680480) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide;hydrochloride
PubChem CID119680480
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide;hydrochloride
SMILESCOc1ccc(CN(C)C(=O)C(C)(C)CN)cc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-14(2,10-15)13(17)16(3)9-11-5-7-12(18-4)8-6-11;/h5-8H,9-10,15H2,1-4H3;1H
InChIKeyHGWAUAFFXRTGNA-UHFFFAOYSA-N
XLogP2.06
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2,3-tetramethylbutanamide
CID 65269943
2-amino-2-ethyl-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 79810054
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 115426364
4-[[(3-amino-2,2-dimethylpropanoyl)-methylamino]methyl]-N-methylbenzamide;hydrochloride
CID 119694216
4-amino-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide;hydrochloride
CID 120586784
7-amino-N-[(4-methoxyphenyl)methyl]-N-methylheptanamide
CID 60937309
5-amino-N-[(4-methoxyphenyl)methyl]-N,4-dimethylpentanamide
CID 82012231
2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54868494
3-amino-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 54868521
N-(3-amino-2,2-dimethylpropyl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 79652961
1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea
CID 115575178
4-amino-N-[(4-methoxyphenyl)methyl]-N,2-dimethylbutanamide
CID 80542826

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide;hydrochloride (CID 119680480) is 3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide;hydrochloride is COc1ccc(CN(C)C(=O)C(C)(C)CN)cc1.Cl.
What is the InChIKey of 3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide;hydrochloride?
The InChIKey is HGWAUAFFXRTGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-14(2,10-15)13(17)16(3)9-11-5-7-12(18-4)8-6-11;/h5-8H,9-10,15H2,1-4H3;1H.
What are the key properties of 3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide;hydrochloride?
3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide;hydrochloride is sourced from PubChem (CID 119680480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).