N-(2-butoxy-5-methoxyphenyl)-2-(2-oxopiperidin-1-yl)acetamide

C18H26N2O4 — CID 78864329

IUPACN-(2-butoxy-5-methoxyphenyl)-2-(2-oxopiperidin-1-yl)acetamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)CN1CCCCC1=O
InChIInChI=1S/C18H26N2O4/c1-3-4-11-24-16-9-8-14(23-2)12-15(16)19-17(21)13-20-10-6-5-7-18(20)22/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,19,21)
InChIKeyDXEYTUKUURJRIB-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.83
Rot. Bonds8

About N-(2-butoxy-5-methoxyphenyl)-2-(2-oxopiperidin-1-yl)acetamide

N-(2-butoxy-5-methoxyphenyl)-2-(2-oxopiperidin-1-yl)acetamide (PubChem CID 78864329) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(2-butoxy-5-methoxyphenyl)-2-(2-oxopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-butoxy-5-methoxyphenyl)-2-(2-oxopiperidin-1-yl)acetamide
PubChem CID78864329
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-(2-butoxy-5-methoxyphenyl)-2-(2-oxopiperidin-1-yl)acetamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)CN1CCCCC1=O
InChIInChI=1S/C18H26N2O4/c1-3-4-11-24-16-9-8-14(23-2)12-15(16)19-17(21)13-20-10-6-5-7-18(20)22/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,19,21)
InChIKeyDXEYTUKUURJRIB-UHFFFAOYSA-N
XLogP2.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 47111322
N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78890755
N-(4-fluoro-2-methoxyphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78864389
N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780
N-(4-methoxy-3-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 87032394
2-(4-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)acetamide
CID 119715039
2-(4-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)acetamide;hydrochloride
CID 119715038
N-(2-butoxy-5-methoxyphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 35366410
N-(2-butoxy-5-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 35362555
N-(2-butoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 54817149
N-[2,5-dimethoxy-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenyl]benzamide
CID 9374401
1-benzyl-N-(2-butoxy-5-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46436974

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxy-5-methoxyphenyl)-2-(2-oxopiperidin-1-yl)acetamide?
The IUPAC name of N-(2-butoxy-5-methoxyphenyl)-2-(2-oxopiperidin-1-yl)acetamide (CID 78864329) is N-(2-butoxy-5-methoxyphenyl)-2-(2-oxopiperidin-1-yl)acetamide.
What is the SMILES notation for N-(2-butoxy-5-methoxyphenyl)-2-(2-oxopiperidin-1-yl)acetamide?
The canonical SMILES for N-(2-butoxy-5-methoxyphenyl)-2-(2-oxopiperidin-1-yl)acetamide is CCCCOc1ccc(OC)cc1NC(=O)CN1CCCCC1=O.
What is the InChIKey of N-(2-butoxy-5-methoxyphenyl)-2-(2-oxopiperidin-1-yl)acetamide?
The InChIKey is DXEYTUKUURJRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-3-4-11-24-16-9-8-14(23-2)12-15(16)19-17(21)13-20-10-6-5-7-18(20)22/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,19,21).
What are the key properties of N-(2-butoxy-5-methoxyphenyl)-2-(2-oxopiperidin-1-yl)acetamide?
N-(2-butoxy-5-methoxyphenyl)-2-(2-oxopiperidin-1-yl)acetamide has a molecular weight of 334.42 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxy-5-methoxyphenyl)-2-(2-oxopiperidin-1-yl)acetamide is sourced from PubChem (CID 78864329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).