N-(1-amino-4-methylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide;hydrochloride

C18H29ClN2O3 — CID 119586256

IUPACN-(1-amino-4-methylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide;hydrochloride
SMILESC=CCc1ccc(OCC(=O)NC(CN)CC(C)C)c(OC)c1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-5-6-14-7-8-16(17(10-14)22-4)23-12-18(21)20-15(11-19)9-13(2)3;/h5,7-8,10,13,15H,1,6,9,11-12,19H2,2-4H3,(H,20,21);1H
InChIKeyOGRABXDXRKTJEC-UHFFFAOYSA-N
MW356.89 g/mol
LogP2.71
Rot. Bonds10

About N-(1-amino-4-methylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide;hydrochloride (PubChem CID 119586256) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide;hydrochloride
PubChem CID119586256
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide;hydrochloride
SMILESC=CCc1ccc(OCC(=O)NC(CN)CC(C)C)c(OC)c1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-5-6-14-7-8-16(17(10-14)22-4)23-12-18(21)20-15(11-19)9-13(2)3;/h5,7-8,10,13,15H,1,6,9,11-12,19H2,2-4H3,(H,20,21);1H
InChIKeyOGRABXDXRKTJEC-UHFFFAOYSA-N
XLogP2.71
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 119586257
2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 119598153
N-benzhydryl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 7714022
[2-(2-methylpropylamino)-2-oxoethyl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804098
N-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 78767935
(3R)-3-(4-chlorophenyl)-3-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]propanoic acid
CID 2526838
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804216
2-(3,4-difluorophenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-methylacetamide
CID 78834446
N-(1-amino-4-methylpentan-2-yl)-3,4-dimethoxy-5-prop-2-enylbenzamide;hydrochloride
CID 119587638
N-[cyclopropyl-(4-methylphenyl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 24582522
N-(2-methoxy-5-methylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26216393

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide;hydrochloride (CID 119586256) is N-(1-amino-4-methylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide;hydrochloride is C=CCc1ccc(OCC(=O)NC(CN)CC(C)C)c(OC)c1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide;hydrochloride?
The InChIKey is OGRABXDXRKTJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-5-6-14-7-8-16(17(10-14)22-4)23-12-18(21)20-15(11-19)9-13(2)3;/h5,7-8,10,13,15H,1,6,9,11-12,19H2,2-4H3,(H,20,21);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 2.71, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119586256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).