3-(2-aminoethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide

C15H22N2O2 — CID 107211868

IUPAC3-(2-aminoethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
SMILESNCCc1cccc(C(=O)N[C@H]2CCCC[C@@H]2O)c1
InChIInChI=1S/C15H22N2O2/c16-9-8-11-4-3-5-12(10-11)15(19)17-13-6-1-2-7-14(13)18/h3-5,10,13-14,18H,1-2,6-9,16H2,(H,17,19)/t13-,14-/m0/s1
InChIKeyKMNJPKSIHXHNOU-KBPBESRZSA-N
MW262.35 g/mol
LogP1.22
Rot. Bonds4

About 3-(2-aminoethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide

3-(2-aminoethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide (PubChem CID 107211868) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
PubChem CID107211868
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(2-aminoethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
SMILESNCCc1cccc(C(=O)N[C@H]2CCCC[C@@H]2O)c1
InChIInChI=1S/C15H22N2O2/c16-9-8-11-4-3-5-12(10-11)15(19)17-13-6-1-2-7-14(13)18/h3-5,10,13-14,18H,1-2,6-9,16H2,(H,17,19)/t13-,14-/m0/s1
InChIKeyKMNJPKSIHXHNOU-KBPBESRZSA-N
XLogP1.22
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminoethyl)-N-cyclohexylbenzamide
CID 62591538
3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 107211397
3-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 40546214
3-hydroxy-N-(2-hydroxycycloheptyl)benzamide
CID 113394806
3-(2-aminoethyl)-N-(2,2-dimethylcyclopentyl)benzamide
CID 79856078
3-(2-aminoethyl)-N-(cyclobutylmethyl)benzamide
CID 62592961
3-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 40605325
3-(2-aminoethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 62592616
N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 36691439
3-(3-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
CID 107211275
3-(chloromethyl)-N-(2-methylcyclohexyl)benzamide
CID 43333330
N-cyclohexyl-3-(hydroxymethyl)benzamide
CID 91471935

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide?
The IUPAC name of 3-(2-aminoethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide (CID 107211868) is 3-(2-aminoethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide?
The canonical SMILES for 3-(2-aminoethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide is NCCc1cccc(C(=O)N[C@H]2CCCC[C@@H]2O)c1.
What is the InChIKey of 3-(2-aminoethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide?
The InChIKey is KMNJPKSIHXHNOU-KBPBESRZSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-9-8-11-4-3-5-12(10-11)15(19)17-13-6-1-2-7-14(13)18/h3-5,10,13-14,18H,1-2,6-9,16H2,(H,17,19)/t13-,14-/m0/s1.
What are the key properties of 3-(2-aminoethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide?
3-(2-aminoethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide has a molecular weight of 262.35 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide is sourced from PubChem (CID 107211868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).