N-(1-aminohexan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride

C17H29ClN2O2 — CID 119667507

IUPACN-(1-aminohexan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
SMILESCCCCC(CN)NC(=O)COc1ccc(C(C)C)cc1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-4-5-6-15(11-18)19-17(20)12-21-16-9-7-14(8-10-16)13(2)3;/h7-10,13,15H,4-6,11-12,18H2,1-3H3,(H,19,20);1H
InChIKeyMMSPFIXEMQUSSG-UHFFFAOYSA-N
MW328.88 g/mol
LogP3.24
Rot. Bonds9

About N-(1-aminohexan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride

N-(1-aminohexan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride (PubChem CID 119667507) has the molecular formula C17H29ClN2O2 and a molecular weight of 328.88 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
PubChem CID119667507
Molecular FormulaC17H29ClN2O2
Molecular Weight328.88 g/mol
Exact Mass328.19
IUPAC NameN-(1-aminohexan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
SMILESCCCCC(CN)NC(=O)COc1ccc(C(C)C)cc1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-4-5-6-15(11-18)19-17(20)12-21-16-9-7-14(8-10-16)13(2)3;/h7-10,13,15H,4-6,11-12,18H2,1-3H3,(H,19,20);1H
InChIKeyMMSPFIXEMQUSSG-UHFFFAOYSA-N
XLogP3.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.88
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)-2-(4-ethylphenoxy)acetamide;hydrochloride
CID 119665333
N-(1-aminohexan-2-yl)-2-(3-propan-2-ylphenoxy)acetamide
CID 119668575
N-(1-aminohexan-2-yl)-2-(2,4-dichlorophenoxy)acetamide;hydrochloride
CID 119664799
N-butyl-2-(4-propan-2-ylphenoxy)acetamide
CID 17142930
N-(1-aminohexan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 119664820
N-(1-aminohexan-2-yl)-2-naphthalen-1-yloxyacetamide;hydrochloride
CID 119666910
N-(1-aminohexan-2-yl)-2-(2-chloro-4-fluorophenoxy)acetamide;hydrochloride
CID 119664901
N-(1-aminohexan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119667044
N-(4-hydroxybutan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 81042144
2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935
N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119384409
N-[3-(aminomethyl)pentan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 119570960

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride (CID 119667507) is N-(1-aminohexan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride is CCCCC(CN)NC(=O)COc1ccc(C(C)C)cc1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride?
The InChIKey is MMSPFIXEMQUSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.ClH/c1-4-5-6-15(11-18)19-17(20)12-21-16-9-7-14(8-10-16)13(2)3;/h7-10,13,15H,4-6,11-12,18H2,1-3H3,(H,19,20);1H.
What are the key properties of N-(1-aminohexan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride?
N-(1-aminohexan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride has a molecular weight of 328.88 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119667507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).