N-hydroxy-2-(3-methoxyanilino)hexanamide

C13H20N2O3 — CID 87720866

IUPACN-hydroxy-2-(3-methoxyanilino)hexanamide
SMILESCCCCC(Nc1cccc(OC)c1)C(=O)NO
InChIInChI=1S/C13H20N2O3/c1-3-4-8-12(13(16)15-17)14-10-6-5-7-11(9-10)18-2/h5-7,9,12,14,17H,3-4,8H2,1-2H3,(H,15,16)
InChIKeyRFPXJABMLDTFSZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.17
Rot. Bonds7

About N-hydroxy-2-(3-methoxyanilino)hexanamide

N-hydroxy-2-(3-methoxyanilino)hexanamide (PubChem CID 87720866) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-hydroxy-2-(3-methoxyanilino)hexanamide.

Molecular Properties

Compound NameN-hydroxy-2-(3-methoxyanilino)hexanamide
PubChem CID87720866
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-hydroxy-2-(3-methoxyanilino)hexanamide
SMILESCCCCC(Nc1cccc(OC)c1)C(=O)NO
InChIInChI=1S/C13H20N2O3/c1-3-4-8-12(13(16)15-17)14-10-6-5-7-11(9-10)18-2/h5-7,9,12,14,17H,3-4,8H2,1-2H3,(H,15,16)
InChIKeyRFPXJABMLDTFSZ-UHFFFAOYSA-N
XLogP2.17
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(3-bromoanilino)hexanoate
CID 61351760
N-[(3-methoxyphenyl)methyl]-2-methylhexanamide
CID 163830422
(2S)-N-hydroxy-2-[(3-methoxyphenyl)carbamoylamino]-4-methylpentanamide
CID 71584556
methyl 2-(3-acetamidoanilino)hexanoate
CID 103868306
2-(3-methoxyanilino)pentan-1-ol
CID 61050273
methyl 2-[[(2S)-1-methoxy-2-(3-methoxyanilino)-1-oxopropan-2-yl]amino]hexanoate
CID 142643335
N-hexan-3-yl-3-methoxyaniline
CID 115916725
2-(3-bromo-5-methoxyanilino)hexanoic acid
CID 103262077
methyl 2-(3-bromo-5-methoxyanilino)hexanoate
CID 103262055
ethyl 2-(3-methoxyanilino)-3-methylbutanoate
CID 61317894
ethyl 2-(4-methoxyanilino)hexanoate
CID 61352956
2-(3-methoxyanilino)-N-(3-methylbutyl)propanamide
CID 43112828

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(3-methoxyanilino)hexanamide?
The IUPAC name of N-hydroxy-2-(3-methoxyanilino)hexanamide (CID 87720866) is N-hydroxy-2-(3-methoxyanilino)hexanamide.
What is the SMILES notation for N-hydroxy-2-(3-methoxyanilino)hexanamide?
The canonical SMILES for N-hydroxy-2-(3-methoxyanilino)hexanamide is CCCCC(Nc1cccc(OC)c1)C(=O)NO.
What is the InChIKey of N-hydroxy-2-(3-methoxyanilino)hexanamide?
The InChIKey is RFPXJABMLDTFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-4-8-12(13(16)15-17)14-10-6-5-7-11(9-10)18-2/h5-7,9,12,14,17H,3-4,8H2,1-2H3,(H,15,16).
What are the key properties of N-hydroxy-2-(3-methoxyanilino)hexanamide?
N-hydroxy-2-(3-methoxyanilino)hexanamide has a molecular weight of 252.31 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(3-methoxyanilino)hexanamide is sourced from PubChem (CID 87720866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).