2-(2-aminoethyl)-N-[(1R)-1-cyclohexylethyl]benzamide

C17H26N2O — CID 81386074

IUPAC2-(2-aminoethyl)-N-[(1R)-1-cyclohexylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1CCN)C1CCCCC1
InChIInChI=1S/C17H26N2O/c1-13(14-7-3-2-4-8-14)19-17(20)16-10-6-5-9-15(16)11-12-18/h5-6,9-10,13-14H,2-4,7-8,11-12,18H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyLUTOHWTURJUHPY-CYBMUJFWSA-N
MW274.41 g/mol
LogP2.89
Rot. Bonds5

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

2-(2-aminoethyl)-N-[(1R)-1-cyclohexylethyl]benzamide (PubChem CID 81386074) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[(1R)-1-cyclohexylethyl]benzamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[(1R)-1-cyclohexylethyl]benzamide
PubChem CID81386074
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(2-aminoethyl)-N-[(1R)-1-cyclohexylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1CCN)C1CCCCC1
InChIInChI=1S/C17H26N2O/c1-13(14-7-3-2-4-8-14)19-17(20)16-10-6-5-9-15(16)11-12-18/h5-6,9-10,13-14H,2-4,7-8,11-12,18H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyLUTOHWTURJUHPY-CYBMUJFWSA-N
XLogP2.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-cyclohexylethyl]-2-(propan-2-ylamino)benzamide
CID 81389065
4-amino-N-[(1R)-1-cyclohexylethyl]-2-fluorobenzamide
CID 94431767
2-[2-(1-cyclopentylethylamino)-2-oxoethyl]benzoic acid
CID 104601586
2-(2-aminoethyl)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65314197
N-(1-cyclopentylethyl)-3-hydroxy-2-methylbenzamide
CID 82828967
N-(1-cyclohexylethyl)-2-(2-hydroxyphenyl)acetamide
CID 79039260
(2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide
CID 104984652
2-amino-N-(1-cyclohexylethyl)-4-phenylbutanamide
CID 114928101
4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]benzamide
CID 81392809
N-(1-cyclopentylethyl)-2-fluoro-3-methylbenzamide
CID 80711780
2-(1-cyclopropylethylcarbamoyl)benzoic acid
CID 43533392
5-chloro-N-(1-cyclohexylethyl)-2-fluorobenzamide
CID 62405432

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[(1R)-1-cyclohexylethyl]benzamide?
The IUPAC name of 2-(2-aminoethyl)-N-[(1R)-1-cyclohexylethyl]benzamide (CID 81386074) is 2-(2-aminoethyl)-N-[(1R)-1-cyclohexylethyl]benzamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[(1R)-1-cyclohexylethyl]benzamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[(1R)-1-cyclohexylethyl]benzamide is C[C@@H](NC(=O)c1ccccc1CCN)C1CCCCC1.
What is the InChIKey of 2-(2-aminoethyl)-N-[(1R)-1-cyclohexylethyl]benzamide?
The InChIKey is LUTOHWTURJUHPY-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(14-7-3-2-4-8-14)19-17(20)16-10-6-5-9-15(16)11-12-18/h5-6,9-10,13-14H,2-4,7-8,11-12,18H2,1H3,(H,19,20)/t13-/m1/s1.
What are the key properties of 2-(2-aminoethyl)-N-[(1R)-1-cyclohexylethyl]benzamide?
2-(2-aminoethyl)-N-[(1R)-1-cyclohexylethyl]benzamide has a molecular weight of 274.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[(1R)-1-cyclohexylethyl]benzamide is sourced from PubChem (CID 81386074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).