2-[(4-ethoxyphenyl)methylamino]-N-ethylacetamide

C13H20N2O2 — CID 43398927

IUPAC2-[(4-ethoxyphenyl)methylamino]-N-ethylacetamide
SMILESCCNC(=O)CNCc1ccc(OCC)cc1
InChIInChI=1S/C13H20N2O2/c1-3-15-13(16)10-14-9-11-5-7-12(8-6-11)17-4-2/h5-8,14H,3-4,9-10H2,1-2H3,(H,15,16)
InChIKeyIJKCHFDTAPENPC-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.31
Rot. Bonds7

About 2-[(4-ethoxyphenyl)methylamino]-N-ethylacetamide

2-[(4-ethoxyphenyl)methylamino]-N-ethylacetamide (PubChem CID 43398927) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methylamino]-N-ethylacetamide
PubChem CID43398927
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[(4-ethoxyphenyl)methylamino]-N-ethylacetamide
SMILESCCNC(=O)CNCc1ccc(OCC)cc1
InChIInChI=1S/C13H20N2O2/c1-3-15-13(16)10-14-9-11-5-7-12(8-6-11)17-4-2/h5-8,14H,3-4,9-10H2,1-2H3,(H,15,16)
InChIKeyIJKCHFDTAPENPC-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethoxyphenyl)methyl]-3-ethylurea
CID 108884423
N-[(4-ethoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119714333
2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-ethylacetamide
CID 43398915
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
2-[[4-(diethylamino)phenyl]methylamino]-N-ethylacetamide
CID 43398896
2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]-N-propylacetamide
CID 43401621
N-(2-methylpropyl)-2-[(4-propoxyphenyl)methylamino]acetamide
CID 115586624
N-[(4-ethoxyphenyl)methyl]-3-oxobutanamide
CID 115176377
N-ethyl-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide
CID 62990480
2-[4-[[(2-ethoxyphenyl)methylamino]methyl]phenoxy]-N-ethylacetamide
CID 56822891
2-[(3,4-dimethylphenyl)methylamino]-N-ethylacetamide
CID 43221669

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(4-ethoxyphenyl)methylamino]-N-ethylacetamide (CID 43398927) is 2-[(4-ethoxyphenyl)methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(4-ethoxyphenyl)methylamino]-N-ethylacetamide is CCNC(=O)CNCc1ccc(OCC)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)methylamino]-N-ethylacetamide?
The InChIKey is IJKCHFDTAPENPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-15-13(16)10-14-9-11-5-7-12(8-6-11)17-4-2/h5-8,14H,3-4,9-10H2,1-2H3,(H,15,16).
What are the key properties of 2-[(4-ethoxyphenyl)methylamino]-N-ethylacetamide?
2-[(4-ethoxyphenyl)methylamino]-N-ethylacetamide has a molecular weight of 236.31 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)methylamino]-N-ethylacetamide is sourced from PubChem (CID 43398927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).