N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

C19H30N2O3 — CID 119598153

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)NC(C)(CN)CC(C)C)c(OC)c1
InChIInChI=1S/C19H30N2O3/c1-6-7-15-8-9-16(17(10-15)23-5)24-12-18(22)21-19(4,13-20)11-14(2)3/h6,8-10,14H,1,7,11-13,20H2,2-5H3,(H,21,22)
InChIKeyJJQGSMJJMXYMLW-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.68
Rot. Bonds10

About N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (PubChem CID 119598153) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
PubChem CID119598153
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)NC(C)(CN)CC(C)C)c(OC)c1
InChIInChI=1S/C19H30N2O3/c1-6-7-15-8-9-16(17(10-15)23-5)24-12-18(22)21-19(4,13-20)11-14(2)3/h6,8-10,14H,1,7,11-13,20H2,2-5H3,(H,21,22)
InChIKeyJJQGSMJJMXYMLW-UHFFFAOYSA-N
XLogP2.68
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.68
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

2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
N-(1-amino-4-methylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 119586257
N-(1-amino-4-methylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide;hydrochloride
CID 119586256
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride
CID 119598009
[2-(2-methylpropylamino)-2-oxoethyl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804098
N-(2-methoxy-5-methylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26216393
N-benzhydryl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 7714022
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 112792859
N-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 78767935
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-ethylphenoxy)acetamide;hydrochloride
CID 119597780
N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 18083381
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 33105392

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (CID 119598153) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is C=CCc1ccc(OCC(=O)NC(C)(CN)CC(C)C)c(OC)c1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The InChIKey is JJQGSMJJMXYMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-6-7-15-8-9-16(17(10-15)23-5)24-12-18(22)21-19(4,13-20)11-14(2)3/h6,8-10,14H,1,7,11-13,20H2,2-5H3,(H,21,22).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide has a molecular weight of 334.46 g/mol, XLogP of 2.68, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is sourced from PubChem (CID 119598153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).