1-(4-decoxyphenyl)-1-(hydroxyamino)propan-2-one

C19H31NO3 — CID 57319067

IUPAC1-(4-decoxyphenyl)-1-(hydroxyamino)propan-2-one
SMILESCCCCCCCCCCOc1ccc(C(NO)C(C)=O)cc1
InChIInChI=1S/C19H31NO3/c1-3-4-5-6-7-8-9-10-15-23-18-13-11-17(12-14-18)19(20-22)16(2)21/h11-14,19-20,22H,3-10,15H2,1-2H3
InChIKeyRGJCJMWHZSMIHC-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.82
Rot. Bonds13

About 1-(4-decoxyphenyl)-1-(hydroxyamino)propan-2-one

1-(4-decoxyphenyl)-1-(hydroxyamino)propan-2-one (PubChem CID 57319067) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is 1-(4-decoxyphenyl)-1-(hydroxyamino)propan-2-one.

Molecular Properties

Compound Name1-(4-decoxyphenyl)-1-(hydroxyamino)propan-2-one
PubChem CID57319067
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name1-(4-decoxyphenyl)-1-(hydroxyamino)propan-2-one
SMILESCCCCCCCCCCOc1ccc(C(NO)C(C)=O)cc1
InChIInChI=1S/C19H31NO3/c1-3-4-5-6-7-8-9-10-15-23-18-13-11-17(12-14-18)19(20-22)16(2)21/h11-14,19-20,22H,3-10,15H2,1-2H3
InChIKeyRGJCJMWHZSMIHC-UHFFFAOYSA-N
XLogP4.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(4-octoxyphenyl)methanol
CID 139262063
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
methyl 2-(4-pentoxyphenyl)propanoate
CID 69403046
1,5-dibromo-2,4-bis(4-octoxyphenyl)pentan-3-one
CID 150375508
(1R)-1-(4-nonoxyphenyl)ethanol
CID 78944579
(1R)-1-(4-octoxyphenyl)ethanol
CID 55223040
N-[2,3-dihydroxy-3-(4-octoxyphenyl)propyl]acetamide
CID 170831241
3-(4-butoxyphenyl)-4-methylpentan-2-one
CID 154210646
1,4-dipentoxybenzene
CID 18314717
1,2-bis(4-octadecoxyphenyl)ethane-1,2-dithiol
CID 101102634
1,2-bis(4-octoxyphenyl)ethane-1,2-dithiol
CID 101102640

Frequently Asked Questions

What is the IUPAC name of 1-(4-decoxyphenyl)-1-(hydroxyamino)propan-2-one?
The IUPAC name of 1-(4-decoxyphenyl)-1-(hydroxyamino)propan-2-one (CID 57319067) is 1-(4-decoxyphenyl)-1-(hydroxyamino)propan-2-one.
What is the SMILES notation for 1-(4-decoxyphenyl)-1-(hydroxyamino)propan-2-one?
The canonical SMILES for 1-(4-decoxyphenyl)-1-(hydroxyamino)propan-2-one is CCCCCCCCCCOc1ccc(C(NO)C(C)=O)cc1.
What is the InChIKey of 1-(4-decoxyphenyl)-1-(hydroxyamino)propan-2-one?
The InChIKey is RGJCJMWHZSMIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-3-4-5-6-7-8-9-10-15-23-18-13-11-17(12-14-18)19(20-22)16(2)21/h11-14,19-20,22H,3-10,15H2,1-2H3.
What are the key properties of 1-(4-decoxyphenyl)-1-(hydroxyamino)propan-2-one?
1-(4-decoxyphenyl)-1-(hydroxyamino)propan-2-one has a molecular weight of 321.46 g/mol, XLogP of 4.82, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-decoxyphenyl)-1-(hydroxyamino)propan-2-one is sourced from PubChem (CID 57319067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).