N-cyclopropyl-2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]propanamide

C15H20N2O3 — CID 77003528

IUPACN-cyclopropyl-2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]propanamide
SMILESCC(=NO)c1ccc(C)cc1OC(C)C(=O)NC1CC1
InChIInChI=1S/C15H20N2O3/c1-9-4-7-13(10(2)17-19)14(8-9)20-11(3)15(18)16-12-5-6-12/h4,7-8,11-12,19H,5-6H2,1-3H3,(H,16,18)
InChIKeyRVQWPVXORIPWJZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.24
Rot. Bonds5

About N-cyclopropyl-2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]propanamide

N-cyclopropyl-2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]propanamide (PubChem CID 77003528) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]propanamide
PubChem CID77003528
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-cyclopropyl-2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]propanamide
SMILESCC(=NO)c1ccc(C)cc1OC(C)C(=O)NC1CC1
InChIInChI=1S/C15H20N2O3/c1-9-4-7-13(10(2)17-19)14(8-9)20-11(3)15(18)16-12-5-6-12/h4,7-8,11-12,19H,5-6H2,1-3H3,(H,16,18)
InChIKeyRVQWPVXORIPWJZ-UHFFFAOYSA-N
XLogP2.24
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxy-4-methylbenzoic acid
CID 60651700
2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-N-propan-2-ylpropanamide
CID 43504967
N-cyclopentyl-2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanamide
CID 63650924
2-(2-acetyl-5-methoxyphenoxy)-N-cyclopropylpropanamide
CID 78906259
N-carbamoyl-2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propanamide
CID 43504970
2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]propanenitrile
CID 77003570
(NE)-N-[1-(2-cyclopentyloxy-4-methylphenyl)ethylidene]hydroxylamine
CID 98566862
2-(2-chloro-5-methylphenoxy)-N-(1,1-dioxothian-4-yl)propanamide
CID 146122600
(2S)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide
CID 7832796
(2R)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide
CID 7832797
(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898785
(2R)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898786

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]propanamide?
The IUPAC name of N-cyclopropyl-2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]propanamide (CID 77003528) is N-cyclopropyl-2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]propanamide?
The canonical SMILES for N-cyclopropyl-2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]propanamide is CC(=NO)c1ccc(C)cc1OC(C)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]propanamide?
The InChIKey is RVQWPVXORIPWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9-4-7-13(10(2)17-19)14(8-9)20-11(3)15(18)16-12-5-6-12/h4,7-8,11-12,19H,5-6H2,1-3H3,(H,16,18).
What are the key properties of N-cyclopropyl-2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]propanamide?
N-cyclopropyl-2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]propanamide has a molecular weight of 276.34 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]propanamide is sourced from PubChem (CID 77003528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).