N-[2-(dimethylamino)ethyl]-2-phenylmethoxypropanamide

C14H22N2O2 — CID 47029692

IUPACN-[2-(dimethylamino)ethyl]-2-phenylmethoxypropanamide
SMILESCC(OCc1ccccc1)C(=O)NCCN(C)C
InChIInChI=1S/C14H22N2O2/c1-12(14(17)15-9-10-16(2)3)18-11-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,15,17)
InChIKeyDFHUJDXUENXUOM-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.27
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-phenylmethoxypropanamide

N-[2-(dimethylamino)ethyl]-2-phenylmethoxypropanamide (PubChem CID 47029692) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-phenylmethoxypropanamide
PubChem CID47029692
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[2-(dimethylamino)ethyl]-2-phenylmethoxypropanamide
SMILESCC(OCc1ccccc1)C(=O)NCCN(C)C
InChIInChI=1S/C14H22N2O2/c1-12(14(17)15-9-10-16(2)3)18-11-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,15,17)
InChIKeyDFHUJDXUENXUOM-UHFFFAOYSA-N
XLogP1.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-phenylmethoxypropanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-phenylmethoxypropanamide (CID 47029692) is N-[2-(dimethylamino)ethyl]-2-phenylmethoxypropanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-phenylmethoxypropanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-phenylmethoxypropanamide is CC(OCc1ccccc1)C(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-phenylmethoxypropanamide?
The InChIKey is DFHUJDXUENXUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-12(14(17)15-9-10-16(2)3)18-11-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,15,17).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-phenylmethoxypropanamide?
N-[2-(dimethylamino)ethyl]-2-phenylmethoxypropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-phenylmethoxypropanamide is sourced from PubChem (CID 47029692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).