N-(3-ethoxypropyl)-2-(4-methoxyphenyl)-2-oxoacetamide

C14H19NO4 — CID 101014754

IUPACN-(3-ethoxypropyl)-2-(4-methoxyphenyl)-2-oxoacetamide
SMILESCCOCCCNC(=O)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H19NO4/c1-3-19-10-4-9-15-14(17)13(16)11-5-7-12(18-2)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyKJZJMQCFKPMBIU-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.42
Rot. Bonds8

About N-(3-ethoxypropyl)-2-(4-methoxyphenyl)-2-oxoacetamide

N-(3-ethoxypropyl)-2-(4-methoxyphenyl)-2-oxoacetamide (PubChem CID 101014754) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(4-methoxyphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(4-methoxyphenyl)-2-oxoacetamide
PubChem CID101014754
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC NameN-(3-ethoxypropyl)-2-(4-methoxyphenyl)-2-oxoacetamide
SMILESCCOCCCNC(=O)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H19NO4/c1-3-19-10-4-9-15-14(17)13(16)11-5-7-12(18-2)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyKJZJMQCFKPMBIU-UHFFFAOYSA-N
XLogP1.42
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-N'-[2-(4-methoxyphenyl)ethyl]oxamide
CID 108505219
N-(3-ethoxypropyl)-N'-[(4-methoxyphenyl)methyl]oxamide
CID 21369943
2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)propan-1-one
CID 82100764
(2S)-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 28632770
N-[2-[[N-(3-ethoxypropyl)-N'-[(4-methoxyphenyl)methyl]carbamimidoyl]amino]ethyl]-4-methoxybenzamide
CID 110926821
N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-2-oxoacetamide
CID 134060022
4-acetamido-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 7288100
(Z)-2-cyano-N-(3-ethoxypropyl)-3-[2-(4-methoxyphenyl)ethylamino]prop-2-enamide
CID 108833979
N'-(4-ethoxyphenyl)-N-(3-ethoxypropyl)oxamide
CID 2205364
1-(3-ethoxypropyl)-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine
CID 111222989
1-(3-ethoxypropyl)-3-[(2S)-4-(4-methoxyphenyl)butan-2-yl]urea
CID 95192114
4-[[[N-(3-ethoxypropyl)-N'-[(4-methoxyphenyl)methyl]carbamimidoyl]amino]methyl]benzamide
CID 110926811

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(4-methoxyphenyl)-2-oxoacetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(4-methoxyphenyl)-2-oxoacetamide (CID 101014754) is N-(3-ethoxypropyl)-2-(4-methoxyphenyl)-2-oxoacetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(4-methoxyphenyl)-2-oxoacetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(4-methoxyphenyl)-2-oxoacetamide is CCOCCCNC(=O)C(=O)c1ccc(OC)cc1.
What is the InChIKey of N-(3-ethoxypropyl)-2-(4-methoxyphenyl)-2-oxoacetamide?
The InChIKey is KJZJMQCFKPMBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-19-10-4-9-15-14(17)13(16)11-5-7-12(18-2)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,15,17).
What are the key properties of N-(3-ethoxypropyl)-2-(4-methoxyphenyl)-2-oxoacetamide?
N-(3-ethoxypropyl)-2-(4-methoxyphenyl)-2-oxoacetamide has a molecular weight of 265.31 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(4-methoxyphenyl)-2-oxoacetamide is sourced from PubChem (CID 101014754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).