N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-ethylphenoxy)acetamide;hydrochloride

C17H29ClN2O2 — CID 119597780

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-ethylphenoxy)acetamide;hydrochloride
SMILESCCc1ccc(OCC(=O)NC(C)(CN)CC(C)C)cc1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-5-14-6-8-15(9-7-14)21-11-16(20)19-17(4,12-18)10-13(2)3;/h6-9,13H,5,10-12,18H2,1-4H3,(H,19,20);1H
InChIKeyBEOYTWOKVPXTLL-UHFFFAOYSA-N
MW328.88 g/mol
LogP2.93
Rot. Bonds8

About N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-ethylphenoxy)acetamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-ethylphenoxy)acetamide;hydrochloride (PubChem CID 119597780) has the molecular formula C17H29ClN2O2 and a molecular weight of 328.88 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-ethylphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-ethylphenoxy)acetamide;hydrochloride
PubChem CID119597780
Molecular FormulaC17H29ClN2O2
Molecular Weight328.88 g/mol
Exact Mass328.19
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-ethylphenoxy)acetamide;hydrochloride
SMILESCCc1ccc(OCC(=O)NC(C)(CN)CC(C)C)cc1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-5-14-6-8-15(9-7-14)21-11-16(20)19-17(4,12-18)10-13(2)3;/h6-9,13H,5,10-12,18H2,1-4H3,(H,19,20);1H
InChIKeyBEOYTWOKVPXTLL-UHFFFAOYSA-N
XLogP2.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.88
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-(4-ethylphenoxy)acetamide
CID 82354507
N-tert-butyl-2-(4-ethylphenoxy)acetamide
CID 807221
N-(1-amino-2,4-dimethylpentan-2-yl)-2-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride
CID 119598620
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-chlorophenoxy)acetamide;hydrochloride
CID 119598961
N-(1-amino-2,4-dimethylpentan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 119599569
methyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-2-methylpropanoate
CID 30875979
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-aminophenyl)acetamide
CID 122080678
2-(4-ethylphenoxy)-N-(2-methylpropyl)acetamide
CID 1120997
N-(1-amino-2,4-dimethylpentan-2-yl)-2-naphthalen-2-ylacetamide;hydrochloride
CID 119597467
N-(1-amino-2,4-dimethylpentan-2-yl)-2-butoxyacetamide
CID 119598279
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 119598153
N-(3-amino-2-methylpropyl)-2-(4-ethylphenoxy)acetamide
CID 119996402

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-ethylphenoxy)acetamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-ethylphenoxy)acetamide;hydrochloride (CID 119597780) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-ethylphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-ethylphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-ethylphenoxy)acetamide;hydrochloride is CCc1ccc(OCC(=O)NC(C)(CN)CC(C)C)cc1.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-ethylphenoxy)acetamide;hydrochloride?
The InChIKey is BEOYTWOKVPXTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.ClH/c1-5-14-6-8-15(9-7-14)21-11-16(20)19-17(4,12-18)10-13(2)3;/h6-9,13H,5,10-12,18H2,1-4H3,(H,19,20);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-ethylphenoxy)acetamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-ethylphenoxy)acetamide;hydrochloride has a molecular weight of 328.88 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-ethylphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119597780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).