N-(2-amino-2-ethylbutyl)-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride

C18H31ClN2O2 — CID 119642652

IUPACN-(2-amino-2-ethylbutyl)-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride
SMILESCCC(C)c1ccccc1OCC(=O)NCC(N)(CC)CC.Cl
InChIInChI=1S/C18H30N2O2.ClH/c1-5-14(4)15-10-8-9-11-16(15)22-12-17(21)20-13-18(19,6-2)7-3;/h8-11,14H,5-7,12-13,19H2,1-4H3,(H,20,21);1H
InChIKeyKHRQBCKXSKLDOF-UHFFFAOYSA-N
MW342.91 g/mol
LogP3.63
Rot. Bonds9

About N-(2-amino-2-ethylbutyl)-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride

N-(2-amino-2-ethylbutyl)-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride (PubChem CID 119642652) has the molecular formula C18H31ClN2O2 and a molecular weight of 342.91 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride
PubChem CID119642652
Molecular FormulaC18H31ClN2O2
Molecular Weight342.91 g/mol
Exact Mass342.21
IUPAC NameN-(2-amino-2-ethylbutyl)-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride
SMILESCCC(C)c1ccccc1OCC(=O)NCC(N)(CC)CC.Cl
InChIInChI=1S/C18H30N2O2.ClH/c1-5-14(4)15-10-8-9-11-16(15)22-12-17(21)20-13-18(19,6-2)7-3;/h8-11,14H,5-7,12-13,19H2,1-4H3,(H,20,21);1H
InChIKeyKHRQBCKXSKLDOF-UHFFFAOYSA-N
XLogP3.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.91
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 61207891
N-(2-amino-2-ethylbutyl)-2-(2-chlorophenoxy)acetamide
CID 119641891
N-(2-amino-2-ethylbutyl)-2-naphthalen-1-yloxyacetamide
CID 119641906
N-[3-(aminomethyl)pentan-3-yl]-2-(2-butan-2-ylphenoxy)acetamide
CID 119571043
benzyl 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]acetate
CID 55491511
N-(2-amino-2-ethylbutyl)-2-(2-phenylmethoxyphenoxy)acetamide
CID 119643357
N-(2-amino-2-ethylbutyl)-2-(2-phenylphenoxy)acetamide
CID 119640180
2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]propanediamide
CID 56807746
2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 86907773
ethyl 4-(2-butan-2-ylphenoxy)-3-oxobutanoate
CID 60644082
2-(2-butan-2-ylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 46449078
benzyl N-[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamate
CID 4935783

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride (CID 119642652) is N-(2-amino-2-ethylbutyl)-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride is CCC(C)c1ccccc1OCC(=O)NCC(N)(CC)CC.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride?
The InChIKey is KHRQBCKXSKLDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2.ClH/c1-5-14(4)15-10-8-9-11-16(15)22-12-17(21)20-13-18(19,6-2)7-3;/h8-11,14H,5-7,12-13,19H2,1-4H3,(H,20,21);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride has a molecular weight of 342.91 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119642652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).