2-amino-3-methoxy-N-[(4-methylcyclohexyl)methyl]propanamide;hydrochloride

C12H25ClN2O2 — CID 120987252

IUPAC2-amino-3-methoxy-N-[(4-methylcyclohexyl)methyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)NCC1CCC(C)CC1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-9-3-5-10(6-4-9)7-14-12(15)11(13)8-16-2;/h9-11H,3-8,13H2,1-2H3,(H,14,15);1H
InChIKeyIDPJAZQNLUMYNG-UHFFFAOYSA-N
MW264.80 g/mol
LogP1.32
Rot. Bonds5

About 2-amino-3-methoxy-N-[(4-methylcyclohexyl)methyl]propanamide;hydrochloride

2-amino-3-methoxy-N-[(4-methylcyclohexyl)methyl]propanamide;hydrochloride (PubChem CID 120987252) has the molecular formula C12H25ClN2O2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[(4-methylcyclohexyl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[(4-methylcyclohexyl)methyl]propanamide;hydrochloride
PubChem CID120987252
Molecular FormulaC12H25ClN2O2
Molecular Weight264.80 g/mol
Exact Mass264.16
IUPAC Name2-amino-3-methoxy-N-[(4-methylcyclohexyl)methyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)NCC1CCC(C)CC1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-9-3-5-10(6-4-9)7-14-12(15)11(13)8-16-2;/h9-11H,3-8,13H2,1-2H3,(H,14,15);1H
InChIKeyIDPJAZQNLUMYNG-UHFFFAOYSA-N
XLogP1.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(cyclobutylmethyl)-3-methoxypropanamide
CID 81080963
4-[[(2-amino-3-methoxypropanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 81101967
4-amino-5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid
CID 64889744
2-amino-3-methoxy-N-(3-methylcyclopentyl)propanamide
CID 114546127
2-amino-3-methoxy-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide;hydrochloride
CID 120992063
(2S)-2-amino-N-(cyclopropylmethyl)-3-hydroxypropanamide
CID 70262272
2-amino-N-[(4-hydroxycyclohexyl)methyl]-5-methoxypentanamide
CID 106135403
(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide
CID 93389393
2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3-methoxypropanamide
CID 81100896
N-[(4-methylcyclohexyl)methyl]acetamide;propan-2-one
CID 143490450
2-amino-N-(cyclopropylmethyl)propanamide
CID 24690233
2-amino-N-[(1-benzoylpiperidin-4-yl)methyl]-3-methoxypropanamide;hydrochloride
CID 120990471

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[(4-methylcyclohexyl)methyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-N-[(4-methylcyclohexyl)methyl]propanamide;hydrochloride (CID 120987252) is 2-amino-3-methoxy-N-[(4-methylcyclohexyl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-N-[(4-methylcyclohexyl)methyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-N-[(4-methylcyclohexyl)methyl]propanamide;hydrochloride is COCC(N)C(=O)NCC1CCC(C)CC1.Cl.
What is the InChIKey of 2-amino-3-methoxy-N-[(4-methylcyclohexyl)methyl]propanamide;hydrochloride?
The InChIKey is IDPJAZQNLUMYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.ClH/c1-9-3-5-10(6-4-9)7-14-12(15)11(13)8-16-2;/h9-11H,3-8,13H2,1-2H3,(H,14,15);1H.
What are the key properties of 2-amino-3-methoxy-N-[(4-methylcyclohexyl)methyl]propanamide;hydrochloride?
2-amino-3-methoxy-N-[(4-methylcyclohexyl)methyl]propanamide;hydrochloride has a molecular weight of 264.80 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[(4-methylcyclohexyl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 120987252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).