3-(2-aminoethyl)-N-[(1R)-1-phenylethyl]benzamide

C17H20N2O — CID 107863937

IUPAC3-(2-aminoethyl)-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(CCN)c1)c1ccccc1
InChIInChI=1S/C17H20N2O/c1-13(15-7-3-2-4-8-15)19-17(20)16-9-5-6-14(12-16)10-11-18/h2-9,12-13H,10-11,18H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyHWIXGGXCBCKFHB-CYBMUJFWSA-N
MW268.36 g/mol
LogP2.68
Rot. Bonds5

About 3-(2-aminoethyl)-N-[(1R)-1-phenylethyl]benzamide

3-(2-aminoethyl)-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 107863937) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-[(1R)-1-phenylethyl]benzamide
PubChem CID107863937
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-(2-aminoethyl)-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(CCN)c1)c1ccccc1
InChIInChI=1S/C17H20N2O/c1-13(15-7-3-2-4-8-15)19-17(20)16-9-5-6-14(12-16)10-11-18/h2-9,12-13H,10-11,18H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyHWIXGGXCBCKFHB-CYBMUJFWSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-aminoethyl)-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 62592272
3-(2-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106217042
1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051451
3-(2-aminoethyl)-N-benzylbenzamide
CID 62591363
3-iodo-N-[(1R)-1-phenylethyl]benzamide
CID 1101324
1-N-(2-methylpropyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051265
3-(aminomethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 119044888
N-[1-[4-(aminomethyl)phenyl]ethyl]-3-hydroxybenzamide
CID 60917725
3-(2-aminoethyl)-N-(2-propan-2-ylphenyl)benzamide
CID 62592259
3-N-benzyl-3-N-ethyl-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054430
3-(2-aminoethyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
CID 62592624
N-[(1S)-1-(4-aminophenyl)ethyl]benzamide
CID 35525579

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 3-(2-aminoethyl)-N-[(1R)-1-phenylethyl]benzamide (CID 107863937) is 3-(2-aminoethyl)-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 3-(2-aminoethyl)-N-[(1R)-1-phenylethyl]benzamide is C[C@@H](NC(=O)c1cccc(CCN)c1)c1ccccc1.
What is the InChIKey of 3-(2-aminoethyl)-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is HWIXGGXCBCKFHB-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13(15-7-3-2-4-8-15)19-17(20)16-9-5-6-14(12-16)10-11-18/h2-9,12-13H,10-11,18H2,1H3,(H,19,20)/t13-/m1/s1.
What are the key properties of 3-(2-aminoethyl)-N-[(1R)-1-phenylethyl]benzamide?
3-(2-aminoethyl)-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 268.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 107863937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).