4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide

C25H33N3O4 — CID 154775568

IUPAC4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)NCCCN3CCC(C)CC3)cc2)c1
InChIInChI=1S/C25H33N3O4/c1-19-11-15-28(16-12-19)14-4-13-26-25(30)20-7-9-22(10-8-20)32-18-24(29)27-21-5-3-6-23(17-21)31-2/h3,5-10,17,19H,4,11-16,18H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyCWKLYXIRYHYWMA-UHFFFAOYSA-N
MW439.56 g/mol
LogP3.56
Rot. Bonds10

About 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide

4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide (PubChem CID 154775568) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
PubChem CID154775568
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC Name4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)NCCCN3CCC(C)CC3)cc2)c1
InChIInChI=1S/C25H33N3O4/c1-19-11-15-28(16-12-19)14-4-13-26-25(30)20-7-9-22(10-8-20)32-18-24(29)27-21-5-3-6-23(17-21)31-2/h3,5-10,17,19H,4,11-16,18H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyCWKLYXIRYHYWMA-UHFFFAOYSA-N
XLogP3.56
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-(2-phenoxyethyl)benzamide
CID 27758187
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-pyrrolidin-3-ylbenzamide
CID 119452649
3-methoxy-N-[2-[[N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111386707
4-ethoxy-N-[2-[3-(4-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
CID 35417368
N-[2-(3-chlorophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 27838613
N-butyl-3-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 17196943
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide;hydrochloride
CID 120945470
2-[4-(azocane-1-carbonyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 51145616
4-(3-methoxyphenoxy)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 118462134
2-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 55343241
2-[4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 55987318
N-[[2-(methanesulfonamido)phenyl]methyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 55723806

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide (CID 154775568) is 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide is COc1cccc(NC(=O)COc2ccc(C(=O)NCCCN3CCC(C)CC3)cc2)c1.
What is the InChIKey of 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
The InChIKey is CWKLYXIRYHYWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-19-11-15-28(16-12-19)14-4-13-26-25(30)20-7-9-22(10-8-20)32-18-24(29)27-21-5-3-6-23(17-21)31-2/h3,5-10,17,19H,4,11-16,18H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide has a molecular weight of 439.56 g/mol, XLogP of 3.56, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 154775568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).