2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide;hydrochloride

C16H27ClN2O3 — CID 119338952

IUPAC2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide;hydrochloride
SMILESCCOCCOCc1cccc(NC(=O)C(C)(C)N)c1C.Cl
InChIInChI=1S/C16H26N2O3.ClH/c1-5-20-9-10-21-11-13-7-6-8-14(12(13)2)18-15(19)16(3,4)17;/h6-8H,5,9-11,17H2,1-4H3,(H,18,19);1H
InChIKeyVCEBGIZYOIDGKV-UHFFFAOYSA-N
MW330.86 g/mol
LogP2.65
Rot. Bonds8

About 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide;hydrochloride

2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide;hydrochloride (PubChem CID 119338952) has the molecular formula C16H27ClN2O3 and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide;hydrochloride
PubChem CID119338952
Molecular FormulaC16H27ClN2O3
Molecular Weight330.86 g/mol
Exact Mass330.17
IUPAC Name2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide;hydrochloride
SMILESCCOCCOCc1cccc(NC(=O)C(C)(C)N)c1C.Cl
InChIInChI=1S/C16H26N2O3.ClH/c1-5-20-9-10-21-11-13-7-6-8-14(12(13)2)18-15(19)16(3,4)17;/h6-8H,5,9-11,17H2,1-4H3,(H,18,19);1H
InChIKeyVCEBGIZYOIDGKV-UHFFFAOYSA-N
XLogP2.65
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 52.65
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

2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide
CID 119338953
2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-phenylpropanamide
CID 120593763
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119810587
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide
CID 119810588
2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(4-methylphenyl)acetamide
CID 120669002
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]prop-2-enamide
CID 166406189
2-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119810601
4-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]oxane-4-carboxamide;hydrochloride
CID 120936001
2-amino-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride
CID 119870046
1-cyclohex-2-en-1-yl-3-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]urea
CID 71971050
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]morpholine-2-carboxamide
CID 119810610
3-(2-ethoxyethoxymethyl)-2-methylaniline
CID 43509333

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide;hydrochloride (CID 119338952) is 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide;hydrochloride is CCOCCOCc1cccc(NC(=O)C(C)(C)N)c1C.Cl.
What is the InChIKey of 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide;hydrochloride?
The InChIKey is VCEBGIZYOIDGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3.ClH/c1-5-20-9-10-21-11-13-7-6-8-14(12(13)2)18-15(19)16(3,4)17;/h6-8H,5,9-11,17H2,1-4H3,(H,18,19);1H.
What are the key properties of 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide;hydrochloride?
2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 119338952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).