3-amino-N-[3-(2-methoxyethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride

C14H23ClN2O3 — CID 119723463

IUPAC3-amino-N-[3-(2-methoxyethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCOCCOc1cccc(NC(=O)C(C)(C)CN)c1.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-14(2,10-15)13(17)16-11-5-4-6-12(9-11)19-8-7-18-3;/h4-6,9H,7-8,10,15H2,1-3H3,(H,16,17);1H
InChIKeyLPKFEIVPPHZKPR-UHFFFAOYSA-N
MW302.80 g/mol
LogP2.06
Rot. Bonds7

About 3-amino-N-[3-(2-methoxyethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride

3-amino-N-[3-(2-methoxyethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride (PubChem CID 119723463) has the molecular formula C14H23ClN2O3 and a molecular weight of 302.80 g/mol. Its IUPAC name is 3-amino-N-[3-(2-methoxyethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(2-methoxyethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride
PubChem CID119723463
Molecular FormulaC14H23ClN2O3
Molecular Weight302.80 g/mol
Exact Mass302.14
IUPAC Name3-amino-N-[3-(2-methoxyethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCOCCOc1cccc(NC(=O)C(C)(C)CN)c1.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-14(2,10-15)13(17)16-11-5-4-6-12(9-11)19-8-7-18-3;/h4-6,9H,7-8,10,15H2,1-3H3,(H,16,17);1H
InChIKeyLPKFEIVPPHZKPR-UHFFFAOYSA-N
XLogP2.06
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-2,2-dimethyl-N-(3-propoxyphenyl)propanamide;hydrochloride
CID 119715008
3-amino-2,2-dimethyl-N-(3-methylphenyl)propanamide;hydrochloride
CID 119670425
(2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride
CID 119289412
4-amino-3-methoxy-N-[3-(2-methoxyethoxy)phenyl]butanamide
CID 103154927
2,2,2-trifluoroethyl N-[3-(2-methoxyethoxy)phenyl]carbamate
CID 65173322
2-chloro-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 17169773
N-(3-acetylphenyl)-3-amino-2,2-dimethylpropanamide
CID 81484636
1-(3,4-dichlorophenyl)-3-[3-(2-methoxyethoxy)phenyl]urea
CID 55910965
3-amino-N-[3-(2-methoxyethoxy)phenyl]butanamide
CID 54862322
methyl 2-[3-[(2-amino-2-methylpropanoyl)amino]phenoxy]acetate;hydrochloride
CID 119284132
N-(3,5-dichlorophenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829747
N-[3-(2-aminoethoxy)phenyl]-2-methoxyacetamide
CID 61277360

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(2-methoxyethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-(2-methoxyethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride (CID 119723463) is 3-amino-N-[3-(2-methoxyethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-(2-methoxyethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-(2-methoxyethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride is COCCOc1cccc(NC(=O)C(C)(C)CN)c1.Cl.
What is the InChIKey of 3-amino-N-[3-(2-methoxyethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is LPKFEIVPPHZKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3.ClH/c1-14(2,10-15)13(17)16-11-5-4-6-12(9-11)19-8-7-18-3;/h4-6,9H,7-8,10,15H2,1-3H3,(H,16,17);1H.
What are the key properties of 3-amino-N-[3-(2-methoxyethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride?
3-amino-N-[3-(2-methoxyethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 302.80 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(2-methoxyethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 119723463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).