3-[2-(2-aminopropyl)-6-methylphenoxy]-N-propan-2-ylpropanamide

C16H26N2O2 — CID 115958129

IUPAC3-[2-(2-aminopropyl)-6-methylphenoxy]-N-propan-2-ylpropanamide
SMILESCc1cccc(CC(C)N)c1OCCC(=O)NC(C)C
InChIInChI=1S/C16H26N2O2/c1-11(2)18-15(19)8-9-20-16-12(3)6-5-7-14(16)10-13(4)17/h5-7,11,13H,8-10,17H2,1-4H3,(H,18,19)
InChIKeyONMDYYBUWNKEST-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.18
Rot. Bonds7

About 3-[2-(2-aminopropyl)-6-methylphenoxy]-N-propan-2-ylpropanamide

3-[2-(2-aminopropyl)-6-methylphenoxy]-N-propan-2-ylpropanamide (PubChem CID 115958129) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[2-(2-aminopropyl)-6-methylphenoxy]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[2-(2-aminopropyl)-6-methylphenoxy]-N-propan-2-ylpropanamide
PubChem CID115958129
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-[2-(2-aminopropyl)-6-methylphenoxy]-N-propan-2-ylpropanamide
SMILESCc1cccc(CC(C)N)c1OCCC(=O)NC(C)C
InChIInChI=1S/C16H26N2O2/c1-11(2)18-15(19)8-9-20-16-12(3)6-5-7-14(16)10-13(4)17/h5-7,11,13H,8-10,17H2,1-4H3,(H,18,19)
InChIKeyONMDYYBUWNKEST-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dimethylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide
CID 115283597
2-[2-(2-aminopropyl)-6-methylphenoxy]-N-cyclopentylacetamide
CID 115958124
3-[3-(2-aminopropyl)phenoxy]-N-propan-2-ylpropanamide
CID 62628251
1-(3-methyl-2-pentoxyphenyl)propan-2-amine
CID 112615361
3-[2-(2-aminopropyl)-6-methylphenoxy]-2-methylpropanamide
CID 112615431
1-(2-methoxy-3-methylphenyl)propan-2-amine
CID 3029797
2-[3-(2,6-dimethylphenoxy)propanoylamino]-3-methoxypropanoic acid
CID 81084522
1-[2-[3-(2-methoxyethoxy)propoxy]-3-methylphenyl]propan-2-amine
CID 103411586
1-[3-methyl-2-(3-methylsulfanylpropoxy)phenyl]propan-2-amine
CID 113474040
(2R)-2-[3-(2,6-dimethylphenoxy)propanoylamino]-4-hydroxybutanoic acid
CID 107823695
2-[2-(2-aminopropyl)-6-methylphenoxy]-1-pyrrolidin-1-ylethanone
CID 115958026
(2S)-2-[3-(2,6-dimethylphenoxy)propanoylamino]-3-methylbutanoic acid
CID 61136603

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminopropyl)-6-methylphenoxy]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[2-(2-aminopropyl)-6-methylphenoxy]-N-propan-2-ylpropanamide (CID 115958129) is 3-[2-(2-aminopropyl)-6-methylphenoxy]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[2-(2-aminopropyl)-6-methylphenoxy]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[2-(2-aminopropyl)-6-methylphenoxy]-N-propan-2-ylpropanamide is Cc1cccc(CC(C)N)c1OCCC(=O)NC(C)C.
What is the InChIKey of 3-[2-(2-aminopropyl)-6-methylphenoxy]-N-propan-2-ylpropanamide?
The InChIKey is ONMDYYBUWNKEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(2)18-15(19)8-9-20-16-12(3)6-5-7-14(16)10-13(4)17/h5-7,11,13H,8-10,17H2,1-4H3,(H,18,19).
What are the key properties of 3-[2-(2-aminopropyl)-6-methylphenoxy]-N-propan-2-ylpropanamide?
3-[2-(2-aminopropyl)-6-methylphenoxy]-N-propan-2-ylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminopropyl)-6-methylphenoxy]-N-propan-2-ylpropanamide is sourced from PubChem (CID 115958129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).