N-(2-aminoethyl)-N-(2-phenylethyl)oxane-3-carboxamide;hydrochloride

C16H25ClN2O2 — CID 120884901

IUPACN-(2-aminoethyl)-N-(2-phenylethyl)oxane-3-carboxamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)C1CCCOC1
InChIInChI=1S/C16H24N2O2.ClH/c17-9-11-18(10-8-14-5-2-1-3-6-14)16(19)15-7-4-12-20-13-15;/h1-3,5-6,15H,4,7-13,17H2;1H
InChIKeyPGVLWURVRFGBKN-UHFFFAOYSA-N
MW312.84 g/mol
LogP1.86
Rot. Bonds6

About N-(2-aminoethyl)-N-(2-phenylethyl)oxane-3-carboxamide;hydrochloride

N-(2-aminoethyl)-N-(2-phenylethyl)oxane-3-carboxamide;hydrochloride (PubChem CID 120884901) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2-phenylethyl)oxane-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2-phenylethyl)oxane-3-carboxamide;hydrochloride
PubChem CID120884901
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC NameN-(2-aminoethyl)-N-(2-phenylethyl)oxane-3-carboxamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)C1CCCOC1
InChIInChI=1S/C16H24N2O2.ClH/c17-9-11-18(10-8-14-5-2-1-3-6-14)16(19)15-7-4-12-20-13-15;/h1-3,5-6,15H,4,7-13,17H2;1H
InChIKeyPGVLWURVRFGBKN-UHFFFAOYSA-N
XLogP1.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride
CID 120886157
N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)piperidine-4-carboxamide;dihydrochloride
CID 120885911
N-(2-aminoethyl)-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120886137
N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-N-(2-phenylethyl)piperidine-3-carboxamide;hydrochloride
CID 120885269
3-N-(2-aminoethyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 120885796
N-(2-aminoethyl)-N-(2-phenylethyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 120884310
N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide;dihydrochloride
CID 120884651
N-(2-aminoethyl)-N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride
CID 120886335
N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
CID 62585571
N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide
CID 120884652
N-(2-aminoethyl)-N-cyclopentyloxane-3-carboxamide
CID 63755880
2-[cyclobutanecarbonyl(2-phenylethyl)amino]acetic acid
CID 119347597

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)oxane-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)oxane-3-carboxamide;hydrochloride (CID 120884901) is N-(2-aminoethyl)-N-(2-phenylethyl)oxane-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-N-(2-phenylethyl)oxane-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-N-(2-phenylethyl)oxane-3-carboxamide;hydrochloride is Cl.NCCN(CCc1ccccc1)C(=O)C1CCCOC1.
What is the InChIKey of N-(2-aminoethyl)-N-(2-phenylethyl)oxane-3-carboxamide;hydrochloride?
The InChIKey is PGVLWURVRFGBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c17-9-11-18(10-8-14-5-2-1-3-6-14)16(19)15-7-4-12-20-13-15;/h1-3,5-6,15H,4,7-13,17H2;1H.
What are the key properties of N-(2-aminoethyl)-N-(2-phenylethyl)oxane-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-N-(2-phenylethyl)oxane-3-carboxamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2-phenylethyl)oxane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120884901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).