N-(2-aminoethyl)-5-ethyl-N-(2-phenylethyl)oxolane-2-carboxamide

C17H26N2O2 — CID 120886926

IUPACN-(2-aminoethyl)-5-ethyl-N-(2-phenylethyl)oxolane-2-carboxamide
SMILESCCC1CCC(C(=O)N(CCN)CCc2ccccc2)O1
InChIInChI=1S/C17H26N2O2/c1-2-15-8-9-16(21-15)17(20)19(13-11-18)12-10-14-6-4-3-5-7-14/h3-7,15-16H,2,8-13,18H2,1H3
InChIKeyBEDWVGCAHVHIST-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.97
Rot. Bonds7

About N-(2-aminoethyl)-5-ethyl-N-(2-phenylethyl)oxolane-2-carboxamide

N-(2-aminoethyl)-5-ethyl-N-(2-phenylethyl)oxolane-2-carboxamide (PubChem CID 120886926) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-ethyl-N-(2-phenylethyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-ethyl-N-(2-phenylethyl)oxolane-2-carboxamide
PubChem CID120886926
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(2-aminoethyl)-5-ethyl-N-(2-phenylethyl)oxolane-2-carboxamide
SMILESCCC1CCC(C(=O)N(CCN)CCc2ccccc2)O1
InChIInChI=1S/C17H26N2O2/c1-2-15-8-9-16(21-15)17(20)19(13-11-18)12-10-14-6-4-3-5-7-14/h3-7,15-16H,2,8-13,18H2,1H3
InChIKeyBEDWVGCAHVHIST-UHFFFAOYSA-N
XLogP1.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propyloxolane-2-carboxamide
CID 120793404
N-(2-aminoethyl)-4-ethyl-N-(2-phenylethyl)morpholine-2-carboxamide
CID 120885712
N-(2-aminoethyl)-N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride
CID 120886335
N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride
CID 120886157
N-(2-aminoethyl)-3-(5-methyloxolan-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120885197
N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)piperidine-4-carboxamide;dihydrochloride
CID 120885911
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
(2S,5R)-5-(aminomethyl)-N-benzyl-N-(2-methoxyethyl)oxolane-2-carboxamide
CID 120783698
N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide
CID 120884652
N-(2-aminoethyl)-N-(2-phenylethyl)oxane-3-carboxamide;hydrochloride
CID 120884901
4-N-(2-aminoethyl)-1-N,1-N-dimethyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 120885596
N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide;dihydrochloride
CID 120884651

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-ethyl-N-(2-phenylethyl)oxolane-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-ethyl-N-(2-phenylethyl)oxolane-2-carboxamide (CID 120886926) is N-(2-aminoethyl)-5-ethyl-N-(2-phenylethyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-ethyl-N-(2-phenylethyl)oxolane-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-ethyl-N-(2-phenylethyl)oxolane-2-carboxamide is CCC1CCC(C(=O)N(CCN)CCc2ccccc2)O1.
What is the InChIKey of N-(2-aminoethyl)-5-ethyl-N-(2-phenylethyl)oxolane-2-carboxamide?
The InChIKey is BEDWVGCAHVHIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-15-8-9-16(21-15)17(20)19(13-11-18)12-10-14-6-4-3-5-7-14/h3-7,15-16H,2,8-13,18H2,1H3.
What are the key properties of N-(2-aminoethyl)-5-ethyl-N-(2-phenylethyl)oxolane-2-carboxamide?
N-(2-aminoethyl)-5-ethyl-N-(2-phenylethyl)oxolane-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-ethyl-N-(2-phenylethyl)oxolane-2-carboxamide is sourced from PubChem (CID 120886926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).