2-[5-(aminomethyl)-2-methylphenoxy]-N-(ethylcarbamoyl)propanamide

C14H21N3O3 — CID 107655961

IUPAC2-[5-(aminomethyl)-2-methylphenoxy]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Oc1cc(CN)ccc1C
InChIInChI=1S/C14H21N3O3/c1-4-16-14(19)17-13(18)10(3)20-12-7-11(8-15)6-5-9(12)2/h5-7,10H,4,8,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyBJGCLAUOINICEG-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.07
Rot. Bonds5

About 2-[5-(aminomethyl)-2-methylphenoxy]-N-(ethylcarbamoyl)propanamide

2-[5-(aminomethyl)-2-methylphenoxy]-N-(ethylcarbamoyl)propanamide (PubChem CID 107655961) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-2-methylphenoxy]-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[5-(aminomethyl)-2-methylphenoxy]-N-(ethylcarbamoyl)propanamide
PubChem CID107655961
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[5-(aminomethyl)-2-methylphenoxy]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Oc1cc(CN)ccc1C
InChIInChI=1S/C14H21N3O3/c1-4-16-14(19)17-13(18)10(3)20-12-7-11(8-15)6-5-9(12)2/h5-7,10H,4,8,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyBJGCLAUOINICEG-UHFFFAOYSA-N
XLogP1.07
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-2-methylphenoxy)-N-(ethylcarbamoyl)propanamide
CID 43520156
2-[3-(aminomethyl)phenoxy]-N-(ethylcarbamoyl)propanamide
CID 43115860
N-(ethylcarbamoyl)-2-(2-methylphenoxy)propanamide
CID 60625657
2-(2-amino-3-methylphenoxy)-N-(ethylcarbamoyl)propanamide
CID 43438016
2-[5-(aminomethyl)-2-methylphenoxy]-N,N-diethylpropanamide
CID 107655685
2-[5-(aminomethyl)-2-methylphenoxy]-N-(furan-2-ylmethyl)propanamide
CID 107655743
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-(methylcarbamoyl)propanamide
CID 43122504
2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(ethylcarbamoyl)propanamide
CID 103565959
2-[2-(aminomethyl)-3-chlorophenoxy]-N-(ethylcarbamoyl)propanamide
CID 114318401
N-(ethylcarbamoyl)-2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanamide
CID 63650613
N-ethyl-2-(5-fluoro-2-methylphenoxy)propanamide
CID 102990501
N-(ethylcarbamoyl)-2-[4-(hydroxymethyl)phenoxy]propanamide
CID 43082829

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-2-methylphenoxy]-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-[5-(aminomethyl)-2-methylphenoxy]-N-(ethylcarbamoyl)propanamide (CID 107655961) is 2-[5-(aminomethyl)-2-methylphenoxy]-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-[5-(aminomethyl)-2-methylphenoxy]-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-[5-(aminomethyl)-2-methylphenoxy]-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)Oc1cc(CN)ccc1C.
What is the InChIKey of 2-[5-(aminomethyl)-2-methylphenoxy]-N-(ethylcarbamoyl)propanamide?
The InChIKey is BJGCLAUOINICEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-16-14(19)17-13(18)10(3)20-12-7-11(8-15)6-5-9(12)2/h5-7,10H,4,8,15H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-[5-(aminomethyl)-2-methylphenoxy]-N-(ethylcarbamoyl)propanamide?
2-[5-(aminomethyl)-2-methylphenoxy]-N-(ethylcarbamoyl)propanamide has a molecular weight of 279.34 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-2-methylphenoxy]-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 107655961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).