3-amino-3-(3-ethoxyphenyl)-N-ethylpropanamide

C13H20N2O2 — CID 112508347

IUPAC3-amino-3-(3-ethoxyphenyl)-N-ethylpropanamide
SMILESCCNC(=O)CC(N)c1cccc(OCC)c1
InChIInChI=1S/C13H20N2O2/c1-3-15-13(16)9-12(14)10-6-5-7-11(8-10)17-4-2/h5-8,12H,3-4,9,14H2,1-2H3,(H,15,16)
InChIKeyYEKSSVVSQJNJNO-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.61
Rot. Bonds6

About 3-amino-3-(3-ethoxyphenyl)-N-ethylpropanamide

3-amino-3-(3-ethoxyphenyl)-N-ethylpropanamide (PubChem CID 112508347) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-amino-3-(3-ethoxyphenyl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-amino-3-(3-ethoxyphenyl)-N-ethylpropanamide
PubChem CID112508347
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-amino-3-(3-ethoxyphenyl)-N-ethylpropanamide
SMILESCCNC(=O)CC(N)c1cccc(OCC)c1
InChIInChI=1S/C13H20N2O2/c1-3-15-13(16)9-12(14)10-6-5-7-11(8-10)17-4-2/h5-8,12H,3-4,9,14H2,1-2H3,(H,15,16)
InChIKeyYEKSSVVSQJNJNO-UHFFFAOYSA-N
XLogP1.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3R)-3-amino-3-(3-ethoxyphenyl)propanoate;hydrochloride
CID 171248203
methyl 2-amino-2-(3-ethoxyphenyl)acetate
CID 60874468
methyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride
CID 171205678
4-amino-N-ethyl-3-(3-methoxyphenyl)butanamide
CID 112511303
(2R)-2-amino-2-(3-ethoxyphenyl)acetic acid
CID 7046833
(1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225210
methyl 2-(3-ethoxyphenyl)-3-oxobutanoate
CID 112512277
2-amino-3-(3-ethoxyphenyl)-3-hydroxypropanoic acid
CID 66204925
methyl 2-(3-ethoxyphenyl)-2-(methylamino)acetate
CID 60873905
3-(3-ethoxyphenyl)pentanediamide
CID 20546636
ethyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate
CID 65236327
methyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate
CID 65235293

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-ethoxyphenyl)-N-ethylpropanamide?
The IUPAC name of 3-amino-3-(3-ethoxyphenyl)-N-ethylpropanamide (CID 112508347) is 3-amino-3-(3-ethoxyphenyl)-N-ethylpropanamide.
What is the SMILES notation for 3-amino-3-(3-ethoxyphenyl)-N-ethylpropanamide?
The canonical SMILES for 3-amino-3-(3-ethoxyphenyl)-N-ethylpropanamide is CCNC(=O)CC(N)c1cccc(OCC)c1.
What is the InChIKey of 3-amino-3-(3-ethoxyphenyl)-N-ethylpropanamide?
The InChIKey is YEKSSVVSQJNJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-15-13(16)9-12(14)10-6-5-7-11(8-10)17-4-2/h5-8,12H,3-4,9,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-3-(3-ethoxyphenyl)-N-ethylpropanamide?
3-amino-3-(3-ethoxyphenyl)-N-ethylpropanamide has a molecular weight of 236.31 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-ethoxyphenyl)-N-ethylpropanamide is sourced from PubChem (CID 112508347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).