2-amino-3-[[2-(ethoxymethyl)phenyl]methylamino]propanamide

C13H21N3O2 — CID 103240297

IUPAC2-amino-3-[[2-(ethoxymethyl)phenyl]methylamino]propanamide
SMILESCCOCc1ccccc1CNCC(N)C(N)=O
InChIInChI=1S/C13H21N3O2/c1-2-18-9-11-6-4-3-5-10(11)7-16-8-12(14)13(15)17/h3-6,12,16H,2,7-9,14H2,1H3,(H2,15,17)
InChIKeyKWDRHIOPZNNOBY-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.13
Rot. Bonds8

About 2-amino-3-[[2-(ethoxymethyl)phenyl]methylamino]propanamide

2-amino-3-[[2-(ethoxymethyl)phenyl]methylamino]propanamide (PubChem CID 103240297) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-amino-3-[[2-(ethoxymethyl)phenyl]methylamino]propanamide.

Molecular Properties

Compound Name2-amino-3-[[2-(ethoxymethyl)phenyl]methylamino]propanamide
PubChem CID103240297
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-amino-3-[[2-(ethoxymethyl)phenyl]methylamino]propanamide
SMILESCCOCc1ccccc1CNCC(N)C(N)=O
InChIInChI=1S/C13H21N3O2/c1-2-18-9-11-6-4-3-5-10(11)7-16-8-12(14)13(15)17/h3-6,12,16H,2,7-9,14H2,1H3,(H2,15,17)
InChIKeyKWDRHIOPZNNOBY-UHFFFAOYSA-N
XLogP0.13
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77025752
ethyl 2-[[2-(ethoxymethyl)phenyl]methylamino]acetate
CID 60923273
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]pentanamide
CID 93359004
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119286563
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 119286568
2-[[2-(ethoxymethyl)phenyl]methylamino]-N-methylacetamide
CID 54861824
(2R)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 103928994
4-[[2-(ethoxymethyl)phenyl]methylamino]butanoic acid
CID 54861751
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 119949733
N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-diphenylacetamide
CID 55599193
2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylpropanamide
CID 61266399
2-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367080

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[2-(ethoxymethyl)phenyl]methylamino]propanamide?
The IUPAC name of 2-amino-3-[[2-(ethoxymethyl)phenyl]methylamino]propanamide (CID 103240297) is 2-amino-3-[[2-(ethoxymethyl)phenyl]methylamino]propanamide.
What is the SMILES notation for 2-amino-3-[[2-(ethoxymethyl)phenyl]methylamino]propanamide?
The canonical SMILES for 2-amino-3-[[2-(ethoxymethyl)phenyl]methylamino]propanamide is CCOCc1ccccc1CNCC(N)C(N)=O.
What is the InChIKey of 2-amino-3-[[2-(ethoxymethyl)phenyl]methylamino]propanamide?
The InChIKey is KWDRHIOPZNNOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-18-9-11-6-4-3-5-10(11)7-16-8-12(14)13(15)17/h3-6,12,16H,2,7-9,14H2,1H3,(H2,15,17).
What are the key properties of 2-amino-3-[[2-(ethoxymethyl)phenyl]methylamino]propanamide?
2-amino-3-[[2-(ethoxymethyl)phenyl]methylamino]propanamide has a molecular weight of 251.33 g/mol, XLogP of 0.13, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[2-(ethoxymethyl)phenyl]methylamino]propanamide is sourced from PubChem (CID 103240297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).