2-[3-(2-aminopropyl)phenoxy]-N-(2-methylbutan-2-yl)acetamide

C16H26N2O2 — CID 61486419

IUPAC2-[3-(2-aminopropyl)phenoxy]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COc1cccc(CC(C)N)c1
InChIInChI=1S/C16H26N2O2/c1-5-16(3,4)18-15(19)11-20-14-8-6-7-13(10-14)9-12(2)17/h6-8,10,12H,5,9,11,17H2,1-4H3,(H,18,19)
InChIKeyNTAGFXSLVOBCJM-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.26
Rot. Bonds7

About 2-[3-(2-aminopropyl)phenoxy]-N-(2-methylbutan-2-yl)acetamide

2-[3-(2-aminopropyl)phenoxy]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 61486419) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[3-(2-aminopropyl)phenoxy]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(2-aminopropyl)phenoxy]-N-(2-methylbutan-2-yl)acetamide
PubChem CID61486419
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[3-(2-aminopropyl)phenoxy]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COc1cccc(CC(C)N)c1
InChIInChI=1S/C16H26N2O2/c1-5-16(3,4)18-15(19)11-20-14-8-6-7-13(10-14)9-12(2)17/h6-8,10,12H,5,9,11,17H2,1-4H3,(H,18,19)
InChIKeyNTAGFXSLVOBCJM-UHFFFAOYSA-N
XLogP2.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-aminopropyl)phenoxy]-N-butan-2-ylacetamide
CID 54929359
2-[4-(2-aminopropyl)phenoxy]-N-tert-butylacetamide
CID 54930613
N-methyl-2-[3-(2-methylbutyl)phenoxy]acetamide
CID 138724732
2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 103566114
3-[3-(2-aminopropyl)phenoxy]-N-propan-2-ylpropanamide
CID 62628251
2-[3-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetic acid
CID 61398227
N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide
CID 50944675
methyl 2-[3-(2-aminobutyl)phenoxy]acetate
CID 54929271
2-[3-(2-aminopropyl)phenoxy]-1-(azepan-1-yl)ethanone
CID 60906670
2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 47001155
(2R)-1-(3-butoxyphenyl)propan-2-amine
CID 171719991
N-(2-methylbutan-2-yl)-2-[4-(propylaminomethyl)phenoxy]acetamide
CID 61486165

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminopropyl)phenoxy]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[3-(2-aminopropyl)phenoxy]-N-(2-methylbutan-2-yl)acetamide (CID 61486419) is 2-[3-(2-aminopropyl)phenoxy]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[3-(2-aminopropyl)phenoxy]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[3-(2-aminopropyl)phenoxy]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)COc1cccc(CC(C)N)c1.
What is the InChIKey of 2-[3-(2-aminopropyl)phenoxy]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is NTAGFXSLVOBCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-16(3,4)18-15(19)11-20-14-8-6-7-13(10-14)9-12(2)17/h6-8,10,12H,5,9,11,17H2,1-4H3,(H,18,19).
What are the key properties of 2-[3-(2-aminopropyl)phenoxy]-N-(2-methylbutan-2-yl)acetamide?
2-[3-(2-aminopropyl)phenoxy]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminopropyl)phenoxy]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 61486419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).