N-cyclopropyl-2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]acetamide

C17H26N2O2 — CID 43276771

IUPACN-cyclopropyl-2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]acetamide
SMILESCCCNCc1cc(C)c(OCC(=O)NC2CC2)c(C)c1
InChIInChI=1S/C17H26N2O2/c1-4-7-18-10-14-8-12(2)17(13(3)9-14)21-11-16(20)19-15-5-6-15/h8-9,15,18H,4-7,10-11H2,1-3H3,(H,19,20)
InChIKeyNUNUKEMXCXJZGY-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.46
Rot. Bonds8

About N-cyclopropyl-2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]acetamide

N-cyclopropyl-2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]acetamide (PubChem CID 43276771) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]acetamide
PubChem CID43276771
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-cyclopropyl-2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]acetamide
SMILESCCCNCc1cc(C)c(OCC(=O)NC2CC2)c(C)c1
InChIInChI=1S/C17H26N2O2/c1-4-7-18-10-14-8-12(2)17(13(3)9-14)21-11-16(20)19-15-5-6-15/h8-9,15,18H,4-7,10-11H2,1-3H3,(H,19,20)
InChIKeyNUNUKEMXCXJZGY-UHFFFAOYSA-N
XLogP2.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.46
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

2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]-N-propylacetamide
CID 43276832
N-cyclopropyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 26054636
N-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide
CID 9218083
N-[[4-(2-bromoprop-2-enoxy)-3,5-dimethylphenyl]methyl]propan-1-amine
CID 60879502
N-[(4-ethoxy-3,5-dimethylphenyl)methyl]propan-1-amine
CID 43276749
N-cyclopropyl-2-[2-methoxy-6-(propylaminomethyl)phenoxy]acetamide
CID 43472022
4-[2-(cyclopropylamino)-2-oxoethoxy]-3,5-dimethylbenzenesulfonyl chloride
CID 82910359
2-(4-bromo-2,6-dimethylphenoxy)-N-cyclododecylacetamide
CID 19175356
2-(4-cyano-2,6-dimethylphenoxy)-N-cyclopentylacetamide
CID 65473029
methyl 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]acetate
CID 60880238
N-tert-butyl-2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide
CID 43276736
2-(4-cyano-2,6-dimethylphenoxy)-N-cyclohexylacetamide
CID 65470752

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]acetamide?
The IUPAC name of N-cyclopropyl-2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]acetamide (CID 43276771) is N-cyclopropyl-2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]acetamide?
The canonical SMILES for N-cyclopropyl-2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]acetamide is CCCNCc1cc(C)c(OCC(=O)NC2CC2)c(C)c1.
What is the InChIKey of N-cyclopropyl-2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]acetamide?
The InChIKey is NUNUKEMXCXJZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-7-18-10-14-8-12(2)17(13(3)9-14)21-11-16(20)19-15-5-6-15/h8-9,15,18H,4-7,10-11H2,1-3H3,(H,19,20).
What are the key properties of N-cyclopropyl-2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]acetamide?
N-cyclopropyl-2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]acetamide has a molecular weight of 290.41 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]acetamide is sourced from PubChem (CID 43276771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).