2-(4-amino-2-methoxyphenoxy)-N-carbamoylpropanamide

C11H15N3O4 — CID 55036205

IUPAC2-(4-amino-2-methoxyphenoxy)-N-carbamoylpropanamide
SMILESCOc1cc(N)ccc1OC(C)C(=O)NC(N)=O
InChIInChI=1S/C11H15N3O4/c1-6(10(15)14-11(13)16)18-8-4-3-7(12)5-9(8)17-2/h3-6H,12H2,1-2H3,(H3,13,14,15,16)
InChIKeyDVAPSJFILUPOBX-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.24
Rot. Bonds4

About 2-(4-amino-2-methoxyphenoxy)-N-carbamoylpropanamide

2-(4-amino-2-methoxyphenoxy)-N-carbamoylpropanamide (PubChem CID 55036205) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(4-amino-2-methoxyphenoxy)-N-carbamoylpropanamide.

Molecular Properties

Compound Name2-(4-amino-2-methoxyphenoxy)-N-carbamoylpropanamide
PubChem CID55036205
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-(4-amino-2-methoxyphenoxy)-N-carbamoylpropanamide
SMILESCOc1cc(N)ccc1OC(C)C(=O)NC(N)=O
InChIInChI=1S/C11H15N3O4/c1-6(10(15)14-11(13)16)18-8-4-3-7(12)5-9(8)17-2/h3-6H,12H2,1-2H3,(H3,13,14,15,16)
InChIKeyDVAPSJFILUPOBX-UHFFFAOYSA-N
XLogP0.24
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.24
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-(4-amino-2-methoxyphenyl)sulfonyl-N-carbamoylpropanamide
CID 81206957
4-methoxy-3-propan-2-yloxyaniline
CID 16785912
(2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide
CID 8709006
2-[(2-amino-6-methyl-3-pyridinyl)oxy]-N-carbamoylpropanamide
CID 62098983
2-(4-amino-2,5-dimethylphenoxy)-N-carbamoylpropanamide
CID 63181045
(2S)-2-(4-bromo-2-chlorophenoxy)-N-carbamoylpropanamide
CID 2638136
2-(2-bromo-4-chlorophenoxy)-N-carbamoylpropanamide
CID 3901807
2-(2-acetyl-4-chlorophenoxy)-N-carbamoylpropanamide
CID 60623246
[1-(carbamoylamino)-1-oxopropan-2-yl] 2,4,5-trimethoxybenzoate
CID 4264203
3-bromo-4-[1-(carbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 61317730
2-[2-[(1R)-1-aminoethyl]-4-bromophenoxy]-N-carbamoylpropanamide
CID 78937100
(2S)-N-carbamoyl-2-(2-fluorophenoxy)propanamide
CID 7815239

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methoxyphenoxy)-N-carbamoylpropanamide?
The IUPAC name of 2-(4-amino-2-methoxyphenoxy)-N-carbamoylpropanamide (CID 55036205) is 2-(4-amino-2-methoxyphenoxy)-N-carbamoylpropanamide.
What is the SMILES notation for 2-(4-amino-2-methoxyphenoxy)-N-carbamoylpropanamide?
The canonical SMILES for 2-(4-amino-2-methoxyphenoxy)-N-carbamoylpropanamide is COc1cc(N)ccc1OC(C)C(=O)NC(N)=O.
What is the InChIKey of 2-(4-amino-2-methoxyphenoxy)-N-carbamoylpropanamide?
The InChIKey is DVAPSJFILUPOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-6(10(15)14-11(13)16)18-8-4-3-7(12)5-9(8)17-2/h3-6H,12H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 2-(4-amino-2-methoxyphenoxy)-N-carbamoylpropanamide?
2-(4-amino-2-methoxyphenoxy)-N-carbamoylpropanamide has a molecular weight of 253.26 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methoxyphenoxy)-N-carbamoylpropanamide is sourced from PubChem (CID 55036205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).