N-carbamoyl-2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propanamide

C13H17N3O4 — CID 43504970

IUPACN-carbamoyl-2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propanamide
SMILESC/C(=N\O)c1cc(C)ccc1OC(C)C(=O)NC(N)=O
InChIInChI=1S/C13H17N3O4/c1-7-4-5-11(10(6-7)8(2)16-19)20-9(3)12(17)15-13(14)18/h4-6,9,19H,1-3H3,(H3,14,15,17,18)/b16-8+
InChIKeyCPRLJJIJUPHGQS-LZYBPNLTSA-N
MW279.30 g/mol
LogP1.16
Rot. Bonds4

About N-carbamoyl-2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propanamide

N-carbamoyl-2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propanamide (PubChem CID 43504970) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-carbamoyl-2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propanamide
PubChem CID43504970
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC NameN-carbamoyl-2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propanamide
SMILESC/C(=N\O)c1cc(C)ccc1OC(C)C(=O)NC(N)=O
InChIInChI=1S/C13H17N3O4/c1-7-4-5-11(10(6-7)8(2)16-19)20-9(3)12(17)15-13(14)18/h4-6,9,19H,1-3H3,(H3,14,15,17,18)/b16-8+
InChIKeyCPRLJJIJUPHGQS-LZYBPNLTSA-N
XLogP1.16
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-N-propan-2-ylpropanamide
CID 43504967
N-carbamoyl-2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propanamide
CID 43505089
2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 43504973
2-(2-acetyl-4-chlorophenoxy)-N-carbamoylpropanamide
CID 60623246
N-cyclopropyl-2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]propanamide
CID 77003528
N-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 74880473
N-[1-[2-(1-methoxypropan-2-yloxy)-5-methylphenyl]ethylidene]hydroxylamine
CID 77020729
(2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide
CID 8709006
(2R)-N-carbamoyl-2-(2-propan-2-ylphenoxy)propanamide
CID 95358323
2-[(2-amino-6-methyl-3-pyridinyl)oxy]-N-carbamoylpropanamide
CID 62098983
2-(4-amino-2-methoxyphenoxy)-N-carbamoylpropanamide
CID 55036205
2-(4-amino-2,5-dimethylphenoxy)-N-carbamoylpropanamide
CID 63181045

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propanamide?
The IUPAC name of N-carbamoyl-2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propanamide (CID 43504970) is N-carbamoyl-2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propanamide.
What is the SMILES notation for N-carbamoyl-2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propanamide?
The canonical SMILES for N-carbamoyl-2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propanamide is C/C(=N\O)c1cc(C)ccc1OC(C)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propanamide?
The InChIKey is CPRLJJIJUPHGQS-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-7-4-5-11(10(6-7)8(2)16-19)20-9(3)12(17)15-13(14)18/h4-6,9,19H,1-3H3,(H3,14,15,17,18)/b16-8+.
What are the key properties of N-carbamoyl-2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propanamide?
N-carbamoyl-2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propanamide has a molecular weight of 279.30 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propanamide is sourced from PubChem (CID 43504970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).