4-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]oxane-4-carboxamide;hydrochloride

C19H31ClN2O4 — CID 120936001

IUPAC4-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]oxane-4-carboxamide;hydrochloride
SMILESCCOCCOCc1cccc(NC(=O)C2(CN)CCOCC2)c1C.Cl
InChIInChI=1S/C19H30N2O4.ClH/c1-3-23-11-12-25-13-16-5-4-6-17(15(16)2)21-18(22)19(14-20)7-9-24-10-8-19;/h4-6H,3,7-14,20H2,1-2H3,(H,21,22);1H
InChIKeyHGWOHNUARBYLQI-UHFFFAOYSA-N
MW386.92 g/mol
LogP2.66
Rot. Bonds9

About 4-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]oxane-4-carboxamide;hydrochloride (PubChem CID 120936001) has the molecular formula C19H31ClN2O4 and a molecular weight of 386.92 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]oxane-4-carboxamide;hydrochloride
PubChem CID120936001
Molecular FormulaC19H31ClN2O4
Molecular Weight386.92 g/mol
Exact Mass386.20
IUPAC Name4-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]oxane-4-carboxamide;hydrochloride
SMILESCCOCCOCc1cccc(NC(=O)C2(CN)CCOCC2)c1C.Cl
InChIInChI=1S/C19H30N2O4.ClH/c1-3-23-11-12-25-13-16-5-4-6-17(15(16)2)21-18(22)19(14-20)7-9-24-10-8-19;/h4-6H,3,7-14,20H2,1-2H3,(H,21,22);1H
InChIKeyHGWOHNUARBYLQI-UHFFFAOYSA-N
XLogP2.66
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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;hydrochloride
CID 119338952
4-(aminomethyl)-N-(2-hydroxy-3-methylphenyl)oxane-4-carboxamide
CID 115439713
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119810587
2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide
CID 119338953
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide
CID 119810588
2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-6-methylbenzoic acid
CID 115439600
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]prop-2-enamide
CID 166406189
4-(aminomethyl)-N-(2-carbamoylphenyl)oxane-4-carboxamide
CID 115438930
4-(aminomethyl)-N-[2-(methylcarbamoyl)phenyl]oxane-4-carboxamide
CID 115438931
2-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119810601
1-(aminomethyl)-N-(2,3-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670553
4-(aminomethyl)-N-(2-bromophenyl)oxane-4-carboxamide
CID 115438925

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]oxane-4-carboxamide;hydrochloride (CID 120936001) is 4-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]oxane-4-carboxamide;hydrochloride is CCOCCOCc1cccc(NC(=O)C2(CN)CCOCC2)c1C.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]oxane-4-carboxamide;hydrochloride?
The InChIKey is HGWOHNUARBYLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4.ClH/c1-3-23-11-12-25-13-16-5-4-6-17(15(16)2)21-18(22)19(14-20)7-9-24-10-8-19;/h4-6H,3,7-14,20H2,1-2H3,(H,21,22);1H.
What are the key properties of 4-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]oxane-4-carboxamide;hydrochloride has a molecular weight of 386.92 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120936001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).