2-[2-(3-butoxyphenyl)ethylamino]-N,N-dimethylacetamide

C16H26N2O2 — CID 25105689

IUPAC2-[2-(3-butoxyphenyl)ethylamino]-N,N-dimethylacetamide
SMILESCCCCOc1cccc(CCNCC(=O)N(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-4-5-11-20-15-8-6-7-14(12-15)9-10-17-13-16(19)18(2)3/h6-8,12,17H,4-5,9-11,13H2,1-3H3
InChIKeyGRHBODILPPXVKN-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.09
Rot. Bonds9

About 2-[2-(3-butoxyphenyl)ethylamino]-N,N-dimethylacetamide

2-[2-(3-butoxyphenyl)ethylamino]-N,N-dimethylacetamide (PubChem CID 25105689) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-(3-butoxyphenyl)ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(3-butoxyphenyl)ethylamino]-N,N-dimethylacetamide
PubChem CID25105689
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[2-(3-butoxyphenyl)ethylamino]-N,N-dimethylacetamide
SMILESCCCCOc1cccc(CCNCC(=O)N(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-4-5-11-20-15-8-6-7-14(12-15)9-10-17-13-16(19)18(2)3/h6-8,12,17H,4-5,9-11,13H2,1-3H3
InChIKeyGRHBODILPPXVKN-UHFFFAOYSA-N
XLogP2.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-butoxyphenyl)ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(3-butoxyphenyl)ethylamino]-N,N-dimethylacetamide (CID 25105689) is 2-[2-(3-butoxyphenyl)ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(3-butoxyphenyl)ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(3-butoxyphenyl)ethylamino]-N,N-dimethylacetamide is CCCCOc1cccc(CCNCC(=O)N(C)C)c1.
What is the InChIKey of 2-[2-(3-butoxyphenyl)ethylamino]-N,N-dimethylacetamide?
The InChIKey is GRHBODILPPXVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-5-11-20-15-8-6-7-14(12-15)9-10-17-13-16(19)18(2)3/h6-8,12,17H,4-5,9-11,13H2,1-3H3.
What are the key properties of 2-[2-(3-butoxyphenyl)ethylamino]-N,N-dimethylacetamide?
2-[2-(3-butoxyphenyl)ethylamino]-N,N-dimethylacetamide has a molecular weight of 278.40 g/mol, XLogP of 2.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-butoxyphenyl)ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 25105689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).