N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclohexanecarboxamide;hydrochloride

C17H27ClN2O2 — CID 54585626

IUPACN-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclohexanecarboxamide;hydrochloride
SMILESCl.O=C(NCCNCC(O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H26N2O2.ClH/c20-16(14-7-3-1-4-8-14)13-18-11-12-19-17(21)15-9-5-2-6-10-15;/h1,3-4,7-8,15-16,18,20H,2,5-6,9-13H2,(H,19,21);1H
InChIKeyHPYXGDXEXJNVBE-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.43
Rot. Bonds7

About N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclohexanecarboxamide;hydrochloride

N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclohexanecarboxamide;hydrochloride (PubChem CID 54585626) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclohexanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclohexanecarboxamide;hydrochloride
PubChem CID54585626
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC NameN-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclohexanecarboxamide;hydrochloride
SMILESCl.O=C(NCCNCC(O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H26N2O2.ClH/c20-16(14-7-3-1-4-8-14)13-18-11-12-19-17(21)15-9-5-2-6-10-15;/h1,3-4,7-8,15-16,18,20H,2,5-6,9-13H2,(H,19,21);1H
InChIKeyHPYXGDXEXJNVBE-UHFFFAOYSA-N
XLogP2.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 3129
N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tridecanamide
CID 10045162
N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tetradecanamide
CID 11143662
DL-threo-PDMP
CID 11957678
N-(2-hydroxy-2-phenylethyl)benzamide
CID 458553
1-Cyclohexyl-3-(((1S,2R)-2-hydroxy-1-methyl-2-phenylethyl)amino)-1-propanone
CID 51719
N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]pentadecanamide
CID 10971504
(2S)-N-[(2S)-1-[butyl(methyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-4-methylpentanamide
CID 9805486
(2S)-N-[(2S)-1-[butyl(methyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-2-[(2,2-dihydroxy-2-phenylacetyl)amino]-4-methylpentanamide
CID 44300242
N-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)acetamide
CID 5079333
D-erythro-MAPP
CID 124735
2-amino-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
CID 1512505

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclohexanecarboxamide;hydrochloride?
The IUPAC name of N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclohexanecarboxamide;hydrochloride (CID 54585626) is N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclohexanecarboxamide;hydrochloride.
What is the SMILES notation for N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclohexanecarboxamide;hydrochloride?
The canonical SMILES for N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclohexanecarboxamide;hydrochloride is Cl.O=C(NCCNCC(O)c1ccccc1)C1CCCCC1.
What is the InChIKey of N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclohexanecarboxamide;hydrochloride?
The InChIKey is HPYXGDXEXJNVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c20-16(14-7-3-1-4-8-14)13-18-11-12-19-17(21)15-9-5-2-6-10-15;/h1,3-4,7-8,15-16,18,20H,2,5-6,9-13H2,(H,19,21);1H.
What are the key properties of N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclohexanecarboxamide;hydrochloride?
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclohexanecarboxamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclohexanecarboxamide;hydrochloride is sourced from PubChem (CID 54585626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).