N-(1-aminohexan-2-yl)-2-(3-propan-2-ylphenoxy)acetamide

C17H28N2O2 — CID 119668575

IUPACN-(1-aminohexan-2-yl)-2-(3-propan-2-ylphenoxy)acetamide
SMILESCCCCC(CN)NC(=O)COc1cccc(C(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-4-5-8-15(11-18)19-17(20)12-21-16-9-6-7-14(10-16)13(2)3/h6-7,9-10,13,15H,4-5,8,11-12,18H2,1-3H3,(H,19,20)
InChIKeyBNBRKAQBSPSUAB-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.82
Rot. Bonds9

About N-(1-aminohexan-2-yl)-2-(3-propan-2-ylphenoxy)acetamide

N-(1-aminohexan-2-yl)-2-(3-propan-2-ylphenoxy)acetamide (PubChem CID 119668575) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-(3-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-(3-propan-2-ylphenoxy)acetamide
PubChem CID119668575
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-(1-aminohexan-2-yl)-2-(3-propan-2-ylphenoxy)acetamide
SMILESCCCCC(CN)NC(=O)COc1cccc(C(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-4-5-8-15(11-18)19-17(20)12-21-16-9-6-7-14(10-16)13(2)3/h6-7,9-10,13,15H,4-5,8,11-12,18H2,1-3H3,(H,19,20)
InChIKeyBNBRKAQBSPSUAB-UHFFFAOYSA-N
XLogP2.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119667507
N-(1-aminohexan-2-yl)-2-(4-ethylphenoxy)acetamide;hydrochloride
CID 119665333
2-(3-propan-2-ylphenoxy)-N-propylacetamide
CID 60624182
N-[3-(aminomethyl)pentan-3-yl]-2-(3-propan-2-ylphenoxy)acetamide
CID 119571885
N-(1-aminohexan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride
CID 119665599
N-(1-aminohexan-2-yl)-2-naphthalen-1-yloxyacetamide;hydrochloride
CID 119666910
N-(1-aminohexan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride
CID 119666096
ethyl 2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetate
CID 60812030
N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide
CID 116820828
N-(1-aminohexan-2-yl)-2-(2,4-dichlorophenoxy)acetamide;hydrochloride
CID 119664799
N-(1-aminohexan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 119664820
2-[3-(1-aminoethyl)phenoxy]-N-butan-2-ylacetamide
CID 16787074

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-(3-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(1-aminohexan-2-yl)-2-(3-propan-2-ylphenoxy)acetamide (CID 119668575) is N-(1-aminohexan-2-yl)-2-(3-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-(3-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-(3-propan-2-ylphenoxy)acetamide is CCCCC(CN)NC(=O)COc1cccc(C(C)C)c1.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-(3-propan-2-ylphenoxy)acetamide?
The InChIKey is BNBRKAQBSPSUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-5-8-15(11-18)19-17(20)12-21-16-9-6-7-14(10-16)13(2)3/h6-7,9-10,13,15H,4-5,8,11-12,18H2,1-3H3,(H,19,20).
What are the key properties of N-(1-aminohexan-2-yl)-2-(3-propan-2-ylphenoxy)acetamide?
N-(1-aminohexan-2-yl)-2-(3-propan-2-ylphenoxy)acetamide has a molecular weight of 292.42 g/mol, XLogP of 2.82, 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-(3-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 119668575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).