N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-(oxolan-2-yl)propanamide

C15H20N2O3 — CID 77057653

IUPACN-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-(oxolan-2-yl)propanamide
SMILESCC(=NO)c1ccc(NC(=O)CCC2CCCO2)cc1
InChIInChI=1S/C15H20N2O3/c1-11(17-19)12-4-6-13(7-5-12)16-15(18)9-8-14-3-2-10-20-14/h4-7,14,19H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyXLKYRIWKHLPZIL-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.78
Rot. Bonds5

About N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-(oxolan-2-yl)propanamide

N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-(oxolan-2-yl)propanamide (PubChem CID 77057653) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-(oxolan-2-yl)propanamide
PubChem CID77057653
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-(oxolan-2-yl)propanamide
SMILESCC(=NO)c1ccc(NC(=O)CCC2CCCO2)cc1
InChIInChI=1S/C15H20N2O3/c1-11(17-19)12-4-6-13(7-5-12)16-15(18)9-8-14-3-2-10-20-14/h4-7,14,19H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyXLKYRIWKHLPZIL-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
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

N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide
CID 42956700
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 77057810
3-(oxolan-2-yl)-N-[4-[(propan-2-ylamino)methyl]phenyl]propanamide
CID 106910402
N-[4-(2-chloroethyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 114299310
N-(3-chloro-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956710
N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-yl)propanamide
CID 55605765
N-(4-cyanophenyl)-3-(oxan-2-yl)propanamide
CID 63939812
2-cyclobutyl-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide
CID 103163862
2-[[2-[4-[3-(oxolan-2-yl)propanoylamino]phenyl]acetyl]amino]acetic acid
CID 119224410
N-(6-bromo-3-pyridinyl)-3-(oxolan-2-yl)propanamide
CID 103789254
N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-3-(oxan-2-yl)propanamide
CID 77046849
2-hydroxy-5-[3-(oxolan-2-yl)propanoylamino]benzoic acid
CID 43353096

Frequently Asked Questions

What is the IUPAC name of N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-(oxolan-2-yl)propanamide (CID 77057653) is N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-(oxolan-2-yl)propanamide is CC(=NO)c1ccc(NC(=O)CCC2CCCO2)cc1.
What is the InChIKey of N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-(oxolan-2-yl)propanamide?
The InChIKey is XLKYRIWKHLPZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(17-19)12-4-6-13(7-5-12)16-15(18)9-8-14-3-2-10-20-14/h4-7,14,19H,2-3,8-10H2,1H3,(H,16,18).
What are the key properties of N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-(oxolan-2-yl)propanamide?
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-(oxolan-2-yl)propanamide has a molecular weight of 276.34 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 77057653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).