4-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxane-4-carboxamide;dihydrochloride

C18H31Cl2N3O2 — CID 120939373

IUPAC4-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxane-4-carboxamide;dihydrochloride
SMILESCCN(CCNC(=O)C1(CN)CCOCC1)c1ccccc1C.Cl.Cl
InChIInChI=1S/C18H29N3O2.2ClH/c1-3-21(16-7-5-4-6-15(16)2)11-10-20-17(22)18(14-19)8-12-23-13-9-18;;/h4-7H,3,8-14,19H2,1-2H3,(H,20,22);2*1H
InChIKeyYFQJGPZIJUSBRT-UHFFFAOYSA-N
MW392.37 g/mol
LogP2.54
Rot. Bonds7

About 4-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxane-4-carboxamide;dihydrochloride

4-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxane-4-carboxamide;dihydrochloride (PubChem CID 120939373) has the molecular formula C18H31Cl2N3O2 and a molecular weight of 392.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxane-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxane-4-carboxamide;dihydrochloride
PubChem CID120939373
Molecular FormulaC18H31Cl2N3O2
Molecular Weight392.37 g/mol
Exact Mass391.18
IUPAC Name4-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxane-4-carboxamide;dihydrochloride
SMILESCCN(CCNC(=O)C1(CN)CCOCC1)c1ccccc1C.Cl.Cl
InChIInChI=1S/C18H29N3O2.2ClH/c1-3-21(16-7-5-4-6-15(16)2)11-10-20-17(22)18(14-19)8-12-23-13-9-18;;/h4-7H,3,8-14,19H2,1-2H3,(H,20,22);2*1H
InChIKeyYFQJGPZIJUSBRT-UHFFFAOYSA-N
XLogP2.54
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119853440
4-(aminomethyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide
CID 115439457
4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120919233
4-(aminomethyl)-N-[2-(2,6-dimethylphenoxy)ethyl]oxane-4-carboxamide;hydrochloride
CID 120925815
4-(aminomethyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120932524
4-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride
CID 120942541
4-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride
CID 120940109
3-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylbutanamide;dihydrochloride
CID 120503065
4-(aminomethyl)-N-[(2-ethylphenyl)methyl]oxane-4-carboxamide
CID 64679884
N-[2-(N-ethyl-2-methylanilino)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120703807
4-(aminomethyl)-N-[2-(4-methylphenoxy)ethyl]oxane-4-carboxamide;hydrochloride
CID 120918344
4-(aminomethyl)-N-[1-(2-methylphenyl)propan-2-yl]oxane-4-carboxamide
CID 115439164

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxane-4-carboxamide;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxane-4-carboxamide;dihydrochloride (CID 120939373) is 4-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxane-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxane-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxane-4-carboxamide;dihydrochloride is CCN(CCNC(=O)C1(CN)CCOCC1)c1ccccc1C.Cl.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxane-4-carboxamide;dihydrochloride?
The InChIKey is YFQJGPZIJUSBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2.2ClH/c1-3-21(16-7-5-4-6-15(16)2)11-10-20-17(22)18(14-19)8-12-23-13-9-18;;/h4-7H,3,8-14,19H2,1-2H3,(H,20,22);2*1H.
What are the key properties of 4-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxane-4-carboxamide;dihydrochloride?
4-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxane-4-carboxamide;dihydrochloride has a molecular weight of 392.37 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxane-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120939373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).