2-(4-aminophenoxy)-N-(6-methylheptan-2-yl)acetamide

C16H26N2O2 — CID 61036016

IUPAC2-(4-aminophenoxy)-N-(6-methylheptan-2-yl)acetamide
SMILESCC(C)CCCC(C)NC(=O)COc1ccc(N)cc1
InChIInChI=1S/C16H26N2O2/c1-12(2)5-4-6-13(3)18-16(19)11-20-15-9-7-14(17)8-10-15/h7-10,12-13H,4-6,11,17H2,1-3H3,(H,18,19)
InChIKeyYOMDMUARWZSPJI-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.98
Rot. Bonds8

About 2-(4-aminophenoxy)-N-(6-methylheptan-2-yl)acetamide

2-(4-aminophenoxy)-N-(6-methylheptan-2-yl)acetamide (PubChem CID 61036016) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-(6-methylheptan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-(6-methylheptan-2-yl)acetamide
PubChem CID61036016
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(4-aminophenoxy)-N-(6-methylheptan-2-yl)acetamide
SMILESCC(C)CCCC(C)NC(=O)COc1ccc(N)cc1
InChIInChI=1S/C16H26N2O2/c1-12(2)5-4-6-13(3)18-16(19)11-20-15-9-7-14(17)8-10-15/h7-10,12-13H,4-6,11,17H2,1-3H3,(H,18,19)
InChIKeyYOMDMUARWZSPJI-UHFFFAOYSA-N
XLogP2.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyanophenoxy)-N-(6-methylheptan-2-yl)acetamide
CID 51172702
2-(4-aminophenyl)-N-(6-methylheptan-2-yl)acetamide;hydrochloride
CID 119673337
2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide
CID 112789363
methyl 4-[2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethoxy]benzoate
CID 9019633
3-(4-aminophenoxy)-N-hexan-2-ylpropanamide
CID 62197862
2-(4-aminophenoxy)-N-(1-thiophen-3-ylpropan-2-yl)acetamide
CID 61471803
N-(4-hydroxybutan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 81042144
2-[4-(3-methylbutoxy)phenoxy]-N-propan-2-ylacetamide
CID 4732908
2-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 61026509
N-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 110834177
2-(4-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 106151936
N-[(1R)-1-(4-aminophenyl)ethyl]-2-(4-tert-butylphenoxy)acetamide
CID 58640419

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-(6-methylheptan-2-yl)acetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-(6-methylheptan-2-yl)acetamide (CID 61036016) is 2-(4-aminophenoxy)-N-(6-methylheptan-2-yl)acetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-(6-methylheptan-2-yl)acetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-(6-methylheptan-2-yl)acetamide is CC(C)CCCC(C)NC(=O)COc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-N-(6-methylheptan-2-yl)acetamide?
The InChIKey is YOMDMUARWZSPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)5-4-6-13(3)18-16(19)11-20-15-9-7-14(17)8-10-15/h7-10,12-13H,4-6,11,17H2,1-3H3,(H,18,19).
What are the key properties of 2-(4-aminophenoxy)-N-(6-methylheptan-2-yl)acetamide?
2-(4-aminophenoxy)-N-(6-methylheptan-2-yl)acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-(6-methylheptan-2-yl)acetamide is sourced from PubChem (CID 61036016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).