N-(3-aminopropyl)-2-(3-methyl-5-propan-2-ylphenoxy)acetamide

C15H24N2O2 — CID 110834191

IUPACN-(3-aminopropyl)-2-(3-methyl-5-propan-2-ylphenoxy)acetamide
SMILESCc1cc(OCC(=O)NCCCN)cc(C(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-11(2)13-7-12(3)8-14(9-13)19-10-15(18)17-6-4-5-16/h7-9,11H,4-6,10,16H2,1-3H3,(H,17,18)
InChIKeyZYZRGOAVINUSBF-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.96
Rot. Bonds7

About N-(3-aminopropyl)-2-(3-methyl-5-propan-2-ylphenoxy)acetamide

N-(3-aminopropyl)-2-(3-methyl-5-propan-2-ylphenoxy)acetamide (PubChem CID 110834191) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(3-methyl-5-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(3-methyl-5-propan-2-ylphenoxy)acetamide
PubChem CID110834191
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(3-aminopropyl)-2-(3-methyl-5-propan-2-ylphenoxy)acetamide
SMILESCc1cc(OCC(=O)NCCCN)cc(C(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-11(2)13-7-12(3)8-14(9-13)19-10-15(18)17-6-4-5-16/h7-9,11H,4-6,10,16H2,1-3H3,(H,17,18)
InChIKeyZYZRGOAVINUSBF-UHFFFAOYSA-N
XLogP1.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119405354
2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 60624673
N-(3-aminopropyl)-2-(3,5-difluorophenoxy)acetamide
CID 110488128
2-(3,5-dimethylphenoxy)-N-(6-hydroxyhexyl)acetamide
CID 103919351
N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119384409
1-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one
CID 62044718
2-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 43391085
N-butyl-2-(4-propan-2-ylphenoxy)acetamide
CID 17142930
2-(3-propan-2-ylphenoxy)-N-propylacetamide
CID 60624182
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
2-(3,5-dimethylphenoxy)-N-[(E)-pent-3-enyl]acetamide
CID 115628333
1-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropan-2-one
CID 62034166

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(3-methyl-5-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(3-aminopropyl)-2-(3-methyl-5-propan-2-ylphenoxy)acetamide (CID 110834191) is N-(3-aminopropyl)-2-(3-methyl-5-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(3-methyl-5-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(3-aminopropyl)-2-(3-methyl-5-propan-2-ylphenoxy)acetamide is Cc1cc(OCC(=O)NCCCN)cc(C(C)C)c1.
What is the InChIKey of N-(3-aminopropyl)-2-(3-methyl-5-propan-2-ylphenoxy)acetamide?
The InChIKey is ZYZRGOAVINUSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)13-7-12(3)8-14(9-13)19-10-15(18)17-6-4-5-16/h7-9,11H,4-6,10,16H2,1-3H3,(H,17,18).
What are the key properties of N-(3-aminopropyl)-2-(3-methyl-5-propan-2-ylphenoxy)acetamide?
N-(3-aminopropyl)-2-(3-methyl-5-propan-2-ylphenoxy)acetamide has a molecular weight of 264.37 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(3-methyl-5-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 110834191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).