2-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N-ethylpropanamide

C14H21N3O3 — CID 43575741

IUPAC2-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC(=O)COc1ccccc1CN
InChIInChI=1S/C14H21N3O3/c1-3-16-14(19)10(2)17-13(18)9-20-12-7-5-4-6-11(12)8-15/h4-7,10H,3,8-9,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyATTKFVGKQZUIEN-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.16
Rot. Bonds7

About 2-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N-ethylpropanamide

2-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N-ethylpropanamide (PubChem CID 43575741) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N-ethylpropanamide
PubChem CID43575741
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC(=O)COc1ccccc1CN
InChIInChI=1S/C14H21N3O3/c1-3-16-14(19)10(2)17-13(18)9-20-12-7-5-4-6-11(12)8-15/h4-7,10H,3,8-9,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyATTKFVGKQZUIEN-UHFFFAOYSA-N
XLogP0.16
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-ethyl-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 8750931
2-[2-(aminomethyl)phenoxy]-N-(3-methylpentan-2-yl)acetamide
CID 61463337
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 9197744
(2R)-N-ethyl-2-[[2-(2-methoxyphenyl)acetyl]amino]propanamide
CID 8751746
[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] benzoate
CID 9018937
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 47112988
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-ethylpropanamide
CID 24683076
methyl 3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-2-hydroxypropanoate
CID 107211898
2-[[2-(2-aminophenyl)acetyl]amino]-N-ethylpropanamide
CID 43574376
2-[2-(aminomethyl)phenoxy]-N-(1-pyridin-3-ylethyl)acetamide
CID 43523594
2-[2-(aminomethyl)phenoxy]acetic acid
CID 15103326
[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732816

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N-ethylpropanamide?
The IUPAC name of 2-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N-ethylpropanamide (CID 43575741) is 2-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N-ethylpropanamide?
The canonical SMILES for 2-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N-ethylpropanamide is CCNC(=O)C(C)NC(=O)COc1ccccc1CN.
What is the InChIKey of 2-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N-ethylpropanamide?
The InChIKey is ATTKFVGKQZUIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-16-14(19)10(2)17-13(18)9-20-12-7-5-4-6-11(12)8-15/h4-7,10H,3,8-9,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N-ethylpropanamide?
2-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N-ethylpropanamide has a molecular weight of 279.34 g/mol, XLogP of 0.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 43575741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).