3-amino-N-(2-cyclohexyl-2-hydroxyethyl)propanamide;hydrochloride

C11H23ClN2O2 — CID 119293866

IUPAC3-amino-N-(2-cyclohexyl-2-hydroxyethyl)propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC(O)C1CCCCC1
InChIInChI=1S/C11H22N2O2.ClH/c12-7-6-11(15)13-8-10(14)9-4-2-1-3-5-9;/h9-10,14H,1-8,12H2,(H,13,15);1H
InChIKeyWBMBTJXCKCPCPX-UHFFFAOYSA-N
MW250.77 g/mol
LogP0.81
Rot. Bonds5

About 3-amino-N-(2-cyclohexyl-2-hydroxyethyl)propanamide;hydrochloride

3-amino-N-(2-cyclohexyl-2-hydroxyethyl)propanamide;hydrochloride (PubChem CID 119293866) has the molecular formula C11H23ClN2O2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 3-amino-N-(2-cyclohexyl-2-hydroxyethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-cyclohexyl-2-hydroxyethyl)propanamide;hydrochloride
PubChem CID119293866
Molecular FormulaC11H23ClN2O2
Molecular Weight250.77 g/mol
Exact Mass250.14
IUPAC Name3-amino-N-(2-cyclohexyl-2-hydroxyethyl)propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC(O)C1CCCCC1
InChIInChI=1S/C11H22N2O2.ClH/c12-7-6-11(15)13-8-10(14)9-4-2-1-3-5-9;/h9-10,14H,1-8,12H2,(H,13,15);1H
InChIKeyWBMBTJXCKCPCPX-UHFFFAOYSA-N
XLogP0.81
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-cyclopropyl-2-hydroxyethyl)propanamide
CID 63297161
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide
CID 95292204
N-(2-cyclohexyl-2-hydroxyethyl)-3-phenylsulfanylpropanamide
CID 56764303
3-cyclopentyl-N-[2-[(2-cyclopentyl-2-hydroxyethyl)amino]-2-oxoethyl]propanamide
CID 111426276
N-(2-cyclopentyl-2-hydroxyethyl)-3-ethoxypropanamide
CID 111425977
N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbutanamide
CID 111425656
N-(2-cyclopropyl-2-hydroxyethyl)-3-(methylamino)propanamide
CID 63297635
N-(2-cyclopentyl-2-hydroxyethyl)-3-prop-2-ynoxypropanamide
CID 109478571
N-(2-cyclopentyl-2-hydroxyethyl)-4-(2-fluorophenoxy)butanamide
CID 111426079
N-(2-cyclopentyl-2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 111426294
1-cyclohexyl-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 63237441
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-2,2-dimethylpropanamide
CID 95292122

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyclohexyl-2-hydroxyethyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-cyclohexyl-2-hydroxyethyl)propanamide;hydrochloride (CID 119293866) is 3-amino-N-(2-cyclohexyl-2-hydroxyethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-cyclohexyl-2-hydroxyethyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-cyclohexyl-2-hydroxyethyl)propanamide;hydrochloride is Cl.NCCC(=O)NCC(O)C1CCCCC1.
What is the InChIKey of 3-amino-N-(2-cyclohexyl-2-hydroxyethyl)propanamide;hydrochloride?
The InChIKey is WBMBTJXCKCPCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.ClH/c12-7-6-11(15)13-8-10(14)9-4-2-1-3-5-9;/h9-10,14H,1-8,12H2,(H,13,15);1H.
What are the key properties of 3-amino-N-(2-cyclohexyl-2-hydroxyethyl)propanamide;hydrochloride?
3-amino-N-(2-cyclohexyl-2-hydroxyethyl)propanamide;hydrochloride has a molecular weight of 250.77 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyclohexyl-2-hydroxyethyl)propanamide;hydrochloride is sourced from PubChem (CID 119293866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).