N-methoxy-5-(4-methoxyphenyl)-5-oxopentanamide

C13H17NO4 — CID 47413820

IUPACN-methoxy-5-(4-methoxyphenyl)-5-oxopentanamide
SMILESCONC(=O)CCCC(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H17NO4/c1-17-11-8-6-10(7-9-11)12(15)4-3-5-13(16)14-18-2/h6-9H,3-5H2,1-2H3,(H,14,16)
InChIKeyXDCSZWJIDNTPON-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.73
Rot. Bonds7

About N-methoxy-5-(4-methoxyphenyl)-5-oxopentanamide

N-methoxy-5-(4-methoxyphenyl)-5-oxopentanamide (PubChem CID 47413820) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-methoxy-5-(4-methoxyphenyl)-5-oxopentanamide.

Molecular Properties

Compound NameN-methoxy-5-(4-methoxyphenyl)-5-oxopentanamide
PubChem CID47413820
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN-methoxy-5-(4-methoxyphenyl)-5-oxopentanamide
SMILESCONC(=O)CCCC(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H17NO4/c1-17-11-8-6-10(7-9-11)12(15)4-3-5-13(16)14-18-2/h6-9H,3-5H2,1-2H3,(H,14,16)
InChIKeyXDCSZWJIDNTPON-UHFFFAOYSA-N
XLogP1.73
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
5-(4-methoxyphenyl)-5-oxo-N-(2-phenoxyethoxy)pentanamide
CID 110311300
N-(2-amino-5-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 119421073
N-(3-aminobutyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 119496713
5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide
CID 110298184
N-(4,4-dimethylpentyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 110617824
N-(2-cyanopropan-2-yl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 110615072
1-(4-methoxyphenyl)nonan-1-one
CID 3628625
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978
N-(4-anilinophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 52710157
7-imino-1-(4-methoxyphenyl)heptane-1,6-dione
CID 135225539
N-(2-amino-2-phenylethyl)-5-(4-methoxyphenyl)-5-oxopentanamide;hydrochloride
CID 119528324

Frequently Asked Questions

What is the IUPAC name of N-methoxy-5-(4-methoxyphenyl)-5-oxopentanamide?
The IUPAC name of N-methoxy-5-(4-methoxyphenyl)-5-oxopentanamide (CID 47413820) is N-methoxy-5-(4-methoxyphenyl)-5-oxopentanamide.
What is the SMILES notation for N-methoxy-5-(4-methoxyphenyl)-5-oxopentanamide?
The canonical SMILES for N-methoxy-5-(4-methoxyphenyl)-5-oxopentanamide is CONC(=O)CCCC(=O)c1ccc(OC)cc1.
What is the InChIKey of N-methoxy-5-(4-methoxyphenyl)-5-oxopentanamide?
The InChIKey is XDCSZWJIDNTPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-17-11-8-6-10(7-9-11)12(15)4-3-5-13(16)14-18-2/h6-9H,3-5H2,1-2H3,(H,14,16).
What are the key properties of N-methoxy-5-(4-methoxyphenyl)-5-oxopentanamide?
N-methoxy-5-(4-methoxyphenyl)-5-oxopentanamide has a molecular weight of 251.28 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-5-(4-methoxyphenyl)-5-oxopentanamide is sourced from PubChem (CID 47413820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).