2-(4-amino-2,5-dimethylphenoxy)-N-carbamoylpropanamide

C12H17N3O3 — CID 63181045

IUPAC2-(4-amino-2,5-dimethylphenoxy)-N-carbamoylpropanamide
SMILESCc1cc(OC(C)C(=O)NC(N)=O)c(C)cc1N
InChIInChI=1S/C12H17N3O3/c1-6-5-10(7(2)4-9(6)13)18-8(3)11(16)15-12(14)17/h4-5,8H,13H2,1-3H3,(H3,14,15,16,17)
InChIKeyKEYDNISXPHXOKL-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.85
Rot. Bonds3

About 2-(4-amino-2,5-dimethylphenoxy)-N-carbamoylpropanamide

2-(4-amino-2,5-dimethylphenoxy)-N-carbamoylpropanamide (PubChem CID 63181045) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(4-amino-2,5-dimethylphenoxy)-N-carbamoylpropanamide.

Molecular Properties

Compound Name2-(4-amino-2,5-dimethylphenoxy)-N-carbamoylpropanamide
PubChem CID63181045
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-(4-amino-2,5-dimethylphenoxy)-N-carbamoylpropanamide
SMILESCc1cc(OC(C)C(=O)NC(N)=O)c(C)cc1N
InChIInChI=1S/C12H17N3O3/c1-6-5-10(7(2)4-9(6)13)18-8(3)11(16)15-12(14)17/h4-5,8H,13H2,1-3H3,(H3,14,15,16,17)
InChIKeyKEYDNISXPHXOKL-UHFFFAOYSA-N
XLogP0.85
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2,5-dimethylphenoxy)propanamide
CID 63181130
N-carbamoyl-2-(2,5-dimethyl-4-sulfamoylphenoxy)propanamide
CID 82913324
(2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide
CID 8709006
N-carbamoyl-2-(5-cyano-2-methylphenoxy)propanamide
CID 107663137
2-(4-amino-2-methoxyphenoxy)-N-carbamoylpropanamide
CID 55036205
2-[(2-amino-6-methyl-3-pyridinyl)oxy]-N-carbamoylpropanamide
CID 62098983
2-(2-bromo-4-chlorophenoxy)-N-carbamoylpropanamide
CID 3901807
(2S)-2-(4-bromo-2-chlorophenoxy)-N-carbamoylpropanamide
CID 2638136
2-(4-amino-2,5-dimethylphenoxy)butanamide
CID 63181047
3-bromo-4-[1-(carbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 61317730
2-[2-[(1R)-1-aminoethyl]-4-bromophenoxy]-N-carbamoylpropanamide
CID 78937100
2-(8-aminoquinolin-5-yl)oxy-N-carbamoylpropanamide
CID 116524840

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,5-dimethylphenoxy)-N-carbamoylpropanamide?
The IUPAC name of 2-(4-amino-2,5-dimethylphenoxy)-N-carbamoylpropanamide (CID 63181045) is 2-(4-amino-2,5-dimethylphenoxy)-N-carbamoylpropanamide.
What is the SMILES notation for 2-(4-amino-2,5-dimethylphenoxy)-N-carbamoylpropanamide?
The canonical SMILES for 2-(4-amino-2,5-dimethylphenoxy)-N-carbamoylpropanamide is Cc1cc(OC(C)C(=O)NC(N)=O)c(C)cc1N.
What is the InChIKey of 2-(4-amino-2,5-dimethylphenoxy)-N-carbamoylpropanamide?
The InChIKey is KEYDNISXPHXOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-6-5-10(7(2)4-9(6)13)18-8(3)11(16)15-12(14)17/h4-5,8H,13H2,1-3H3,(H3,14,15,16,17).
What are the key properties of 2-(4-amino-2,5-dimethylphenoxy)-N-carbamoylpropanamide?
2-(4-amino-2,5-dimethylphenoxy)-N-carbamoylpropanamide has a molecular weight of 251.29 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,5-dimethylphenoxy)-N-carbamoylpropanamide is sourced from PubChem (CID 63181045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).