N-(2-aminoethyl)-2-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)acetamide

C19H22N2O3 — CID 120886994

IUPACN-(2-aminoethyl)-2-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)acetamide
SMILESNCCN(CCc1ccccc1)C(=O)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C19H22N2O3/c20-9-11-21(10-8-15-4-2-1-3-5-15)19(22)13-16-6-7-17-18(12-16)24-14-23-17/h1-7,12H,8-11,13-14,20H2
InChIKeyOWRZMPNDDFMXTO-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.99
Rot. Bonds7

About N-(2-aminoethyl)-2-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)acetamide

N-(2-aminoethyl)-2-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)acetamide (PubChem CID 120886994) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)acetamide
PubChem CID120886994
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-(2-aminoethyl)-2-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)acetamide
SMILESNCCN(CCc1ccccc1)C(=O)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C19H22N2O3/c20-9-11-21(10-8-15-4-2-1-3-5-15)19(22)13-16-6-7-17-18(12-16)24-14-23-17/h1-7,12H,8-11,13-14,20H2
InChIKeyOWRZMPNDDFMXTO-UHFFFAOYSA-N
XLogP1.99
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-(4-chlorophenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120887035
N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)acetamide
CID 120884990
N-(2-aminoethyl)-2-(4-ethylphenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886907
N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide
CID 120884702
N-(2-aminoethyl)-2-(2-fluorophenyl)-N-(2-phenylethyl)acetamide
CID 120885714
N-(2-aminoethyl)-N-(2-phenylethyl)-2-thiophen-3-ylacetamide
CID 120885888
2-(1,3-benzodioxol-5-yl)-N-(3-phenylpropyl)acetamide
CID 110767409
N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884701
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
2-(1,3-benzodioxol-5-yl)-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 139216201
N-(2-aminoethyl)-3-(4-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884337
N-(2-aminoethyl)-2-(2-chlorophenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120885855

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)acetamide (CID 120886994) is N-(2-aminoethyl)-2-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)acetamide is NCCN(CCc1ccccc1)C(=O)Cc1ccc2c(c1)OCO2.
What is the InChIKey of N-(2-aminoethyl)-2-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is OWRZMPNDDFMXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c20-9-11-21(10-8-15-4-2-1-3-5-15)19(22)13-16-6-7-17-18(12-16)24-14-23-17/h1-7,12H,8-11,13-14,20H2.
What are the key properties of N-(2-aminoethyl)-2-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)acetamide?
N-(2-aminoethyl)-2-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 326.40 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 120886994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).