2-[2-amino-5-(dimethylamino)phenoxy]-N-(ethylcarbamoyl)propanamide

C14H22N4O3 — CID 79557592

IUPAC2-[2-amino-5-(dimethylamino)phenoxy]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Oc1cc(N(C)C)ccc1N
InChIInChI=1S/C14H22N4O3/c1-5-16-14(20)17-13(19)9(2)21-12-8-10(18(3)4)6-7-11(12)15/h6-9H,5,15H2,1-4H3,(H2,16,17,19,20)
InChIKeyCOBRVFMYJWFCMT-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.95
Rot. Bonds5

About 2-[2-amino-5-(dimethylamino)phenoxy]-N-(ethylcarbamoyl)propanamide

2-[2-amino-5-(dimethylamino)phenoxy]-N-(ethylcarbamoyl)propanamide (PubChem CID 79557592) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[2-amino-5-(dimethylamino)phenoxy]-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[2-amino-5-(dimethylamino)phenoxy]-N-(ethylcarbamoyl)propanamide
PubChem CID79557592
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name2-[2-amino-5-(dimethylamino)phenoxy]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Oc1cc(N(C)C)ccc1N
InChIInChI=1S/C14H22N4O3/c1-5-16-14(20)17-13(19)9(2)21-12-8-10(18(3)4)6-7-11(12)15/h6-9H,5,15H2,1-4H3,(H2,16,17,19,20)
InChIKeyCOBRVFMYJWFCMT-UHFFFAOYSA-N
XLogP0.95
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-amino-2-methylphenoxy)-N-(ethylcarbamoyl)propanamide
CID 43520156
2-(2-amino-3-methylphenoxy)-N-(ethylcarbamoyl)propanamide
CID 43438016
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate
CID 3919697
N-(ethylcarbamoyl)-2-(2-methylphenoxy)propanamide
CID 60625657
2-[5-(aminomethyl)-2-methylphenoxy]-N-(ethylcarbamoyl)propanamide
CID 107655961
(2R)-2-(2-chlorophenoxy)-N-(ethylcarbamoyl)propanamide
CID 2631962
N-(ethylcarbamoyl)-2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanamide
CID 63650613
2-[2-amino-5-(dimethylamino)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 79589771
2-[2-(aminomethyl)-3-chlorophenoxy]-N-(ethylcarbamoyl)propanamide
CID 114318401
2-[3-(aminomethyl)phenoxy]-N-(ethylcarbamoyl)propanamide
CID 43115860
N-(ethylcarbamoyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 60623989
2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(ethylcarbamoyl)propanamide
CID 103565959

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(dimethylamino)phenoxy]-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-[2-amino-5-(dimethylamino)phenoxy]-N-(ethylcarbamoyl)propanamide (CID 79557592) is 2-[2-amino-5-(dimethylamino)phenoxy]-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-[2-amino-5-(dimethylamino)phenoxy]-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-[2-amino-5-(dimethylamino)phenoxy]-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)Oc1cc(N(C)C)ccc1N.
What is the InChIKey of 2-[2-amino-5-(dimethylamino)phenoxy]-N-(ethylcarbamoyl)propanamide?
The InChIKey is COBRVFMYJWFCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-5-16-14(20)17-13(19)9(2)21-12-8-10(18(3)4)6-7-11(12)15/h6-9H,5,15H2,1-4H3,(H2,16,17,19,20).
What are the key properties of 2-[2-amino-5-(dimethylamino)phenoxy]-N-(ethylcarbamoyl)propanamide?
2-[2-amino-5-(dimethylamino)phenoxy]-N-(ethylcarbamoyl)propanamide has a molecular weight of 294.36 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(dimethylamino)phenoxy]-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 79557592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).