2-[4-(1-aminopropyl)phenoxy]-N-pentan-2-ylacetamide

C16H26N2O2 — CID 61489836

IUPAC2-[4-(1-aminopropyl)phenoxy]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1ccc(C(N)CC)cc1
InChIInChI=1S/C16H26N2O2/c1-4-6-12(3)18-16(19)11-20-14-9-7-13(8-10-14)15(17)5-2/h7-10,12,15H,4-6,11,17H2,1-3H3,(H,18,19)
InChIKeyFTQWUQUBDTZJIN-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.78
Rot. Bonds8

About 2-[4-(1-aminopropyl)phenoxy]-N-pentan-2-ylacetamide

2-[4-(1-aminopropyl)phenoxy]-N-pentan-2-ylacetamide (PubChem CID 61489836) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[4-(1-aminopropyl)phenoxy]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(1-aminopropyl)phenoxy]-N-pentan-2-ylacetamide
PubChem CID61489836
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[4-(1-aminopropyl)phenoxy]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1ccc(C(N)CC)cc1
InChIInChI=1S/C16H26N2O2/c1-4-6-12(3)18-16(19)11-20-14-9-7-13(8-10-14)15(17)5-2/h7-10,12,15H,4-6,11,17H2,1-3H3,(H,18,19)
InChIKeyFTQWUQUBDTZJIN-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(1R)-1-aminopropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63367720
2-[4-[(1R)-1-aminopropyl]phenoxy]acetamide
CID 30072384
2-[4-[(1S)-1-aminopropyl]phenoxy]-N-carbamoylacetamide
CID 30072606
2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide
CID 7503246
2-(4-nitrophenoxy)-N-pentan-2-ylacetamide
CID 4810369
2-[[6-(aminomethyl)-3-pyridinyl]oxy]-N-pentan-2-ylacetamide
CID 79775490
2-[4-[(1S)-1-aminopropyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 78937320
2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide
CID 7382360
N-(4-hydroxybutan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 81042144
2-[4-[(1S)-1-aminopropyl]phenoxy]-N-(2-cyanoethyl)acetamide
CID 78936989
2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
CID 888398
2-[4-[(1R)-1-aminopropyl]phenoxy]-N,N-dimethylacetamide
CID 30078683

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminopropyl)phenoxy]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[4-(1-aminopropyl)phenoxy]-N-pentan-2-ylacetamide (CID 61489836) is 2-[4-(1-aminopropyl)phenoxy]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[4-(1-aminopropyl)phenoxy]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[4-(1-aminopropyl)phenoxy]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)COc1ccc(C(N)CC)cc1.
What is the InChIKey of 2-[4-(1-aminopropyl)phenoxy]-N-pentan-2-ylacetamide?
The InChIKey is FTQWUQUBDTZJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-6-12(3)18-16(19)11-20-14-9-7-13(8-10-14)15(17)5-2/h7-10,12,15H,4-6,11,17H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-(1-aminopropyl)phenoxy]-N-pentan-2-ylacetamide?
2-[4-(1-aminopropyl)phenoxy]-N-pentan-2-ylacetamide has a molecular weight of 278.40 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminopropyl)phenoxy]-N-pentan-2-ylacetamide is sourced from PubChem (CID 61489836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).