3-(3-aminophenoxy)-N-octan-4-ylpropanamide

C17H28N2O2 — CID 106021745

IUPAC3-(3-aminophenoxy)-N-octan-4-ylpropanamide
SMILESCCCCC(CCC)NC(=O)CCOc1cccc(N)c1
InChIInChI=1S/C17H28N2O2/c1-3-5-9-15(7-4-2)19-17(20)11-12-21-16-10-6-8-14(18)13-16/h6,8,10,13,15H,3-5,7,9,11-12,18H2,1-2H3,(H,19,20)
InChIKeyCWWKHQDEILFNEA-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.51
Rot. Bonds10

About 3-(3-aminophenoxy)-N-octan-4-ylpropanamide

3-(3-aminophenoxy)-N-octan-4-ylpropanamide (PubChem CID 106021745) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-octan-4-ylpropanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-octan-4-ylpropanamide
PubChem CID106021745
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-(3-aminophenoxy)-N-octan-4-ylpropanamide
SMILESCCCCC(CCC)NC(=O)CCOc1cccc(N)c1
InChIInChI=1S/C17H28N2O2/c1-3-5-9-15(7-4-2)19-17(20)11-12-21-16-10-6-8-14(18)13-16/h6,8,10,13,15H,3-5,7,9,11-12,18H2,1-2H3,(H,19,20)
InChIKeyCWWKHQDEILFNEA-UHFFFAOYSA-N
XLogP3.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(1-aminohexan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride
CID 119666096
3-(3-aminophenoxy)-N-pent-4-yn-2-ylpropanamide
CID 113476877
3-(4-aminophenoxy)-N-hexan-2-ylpropanamide
CID 62197862
3-(3-aminophenoxy)-N-(1-methylsulfanylpropan-2-yl)propanamide
CID 113472643
2-[3-(3-aminophenoxy)propanoylamino]-N-methylpropanamide
CID 61464065
3-(3-aminophenoxy)-N-(1-cyclopropylethyl)propanamide
CID 61095016
3-(3-aminophenoxy)-N-(3-ethylpentan-3-yl)propanamide
CID 65039442
N-(1-aminohexan-2-yl)-3-(4-fluorophenoxy)propanamide
CID 119665882
3-(3-aminophenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 61093079
3-(3-aminophenoxy)-N-butyl-N-methylpropanamide
CID 61091184
1-(3-aminophenyl)-3-octan-4-ylurea
CID 106026333
(2S)-2-[3-(3-chlorophenoxy)propanoylamino]pentanoic acid
CID 107564597

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-octan-4-ylpropanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-octan-4-ylpropanamide (CID 106021745) is 3-(3-aminophenoxy)-N-octan-4-ylpropanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-octan-4-ylpropanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-octan-4-ylpropanamide is CCCCC(CCC)NC(=O)CCOc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenoxy)-N-octan-4-ylpropanamide?
The InChIKey is CWWKHQDEILFNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-5-9-15(7-4-2)19-17(20)11-12-21-16-10-6-8-14(18)13-16/h6,8,10,13,15H,3-5,7,9,11-12,18H2,1-2H3,(H,19,20).
What are the key properties of 3-(3-aminophenoxy)-N-octan-4-ylpropanamide?
3-(3-aminophenoxy)-N-octan-4-ylpropanamide has a molecular weight of 292.42 g/mol, XLogP of 3.51, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenoxy)-N-octan-4-ylpropanamide is sourced from PubChem (CID 106021745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).