2-[2-(2-aminoethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide

C16H26N2O2 — CID 115957680

IUPAC2-[2-(2-aminoethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
SMILESCc1cccc(CCN)c1OCC(=O)NC(C)C(C)C
InChIInChI=1S/C16H26N2O2/c1-11(2)13(4)18-15(19)10-20-16-12(3)6-5-7-14(16)8-9-17/h5-7,11,13H,8-10,17H2,1-4H3,(H,18,19)
InChIKeyHMFWIRVZPCMEAP-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.04
Rot. Bonds7

About 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide

2-[2-(2-aminoethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 115957680) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
PubChem CID115957680
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[2-(2-aminoethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
SMILESCc1cccc(CCN)c1OCC(=O)NC(C)C(C)C
InChIInChI=1S/C16H26N2O2/c1-11(2)13(4)18-15(19)10-20-16-12(3)6-5-7-14(16)8-9-17/h5-7,11,13H,8-10,17H2,1-4H3,(H,18,19)
InChIKeyHMFWIRVZPCMEAP-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminoethyl)-6-bromophenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489103
2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 112612258
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-pentan-2-ylacetamide
CID 115957606
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylacetamide
CID 112614743
2-[2-(2-aminoethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489497
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-(cyanomethyl)acetamide
CID 112614713
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylpropanamide
CID 115957613
N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide
CID 94223613
2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 115957905
methyl (2R)-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-methylbutanoate
CID 40938621
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 112612569
2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 115958397

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide (CID 115957680) is 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide is Cc1cccc(CCN)c1OCC(=O)NC(C)C(C)C.
What is the InChIKey of 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is HMFWIRVZPCMEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(2)13(4)18-15(19)10-20-16-12(3)6-5-7-14(16)8-9-17/h5-7,11,13H,8-10,17H2,1-4H3,(H,18,19).
What are the key properties of 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide?
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 115957680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).