N-(5-acetamido-2-methoxyphenyl)-2-(azocan-1-yl)acetamide

C18H27N3O3 — CID 8680244

IUPACN-(5-acetamido-2-methoxyphenyl)-2-(azocan-1-yl)acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CN1CCCCCCC1
InChIInChI=1S/C18H27N3O3/c1-14(22)19-15-8-9-17(24-2)16(12-15)20-18(23)13-21-10-6-4-3-5-7-11-21/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyWEBKRMMQIVHXAQ-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.86
Rot. Bonds5

About N-(5-acetamido-2-methoxyphenyl)-2-(azocan-1-yl)acetamide

N-(5-acetamido-2-methoxyphenyl)-2-(azocan-1-yl)acetamide (PubChem CID 8680244) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-(azocan-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2-(azocan-1-yl)acetamide
PubChem CID8680244
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2-(azocan-1-yl)acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CN1CCCCCCC1
InChIInChI=1S/C18H27N3O3/c1-14(22)19-15-8-9-17(24-2)16(12-15)20-18(23)13-21-10-6-4-3-5-7-11-21/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyWEBKRMMQIVHXAQ-UHFFFAOYSA-N
XLogP2.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetamide
CID 16599233
2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 4800986
N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780
N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 3703737
N-(5-acetamido-2-methoxyphenyl)-2-[(2R)-2-methylmorpholin-4-yl]acetamide
CID 31502105
N-(5-acetamido-2-methoxyphenyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide
CID 16597958
N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 131895084
N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide
CID 47542871
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ylacetamide
CID 8894862
N-(5-acetamido-2-methoxyphenyl)-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 37385958
N-(5-acetamido-2-methoxyphenyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 9342184
N-(5-acetamido-2-methoxyphenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 46374953

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(azocan-1-yl)acetamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(azocan-1-yl)acetamide (CID 8680244) is N-(5-acetamido-2-methoxyphenyl)-2-(azocan-1-yl)acetamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-(azocan-1-yl)acetamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-(azocan-1-yl)acetamide is COc1ccc(NC(C)=O)cc1NC(=O)CN1CCCCCCC1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-(azocan-1-yl)acetamide?
The InChIKey is WEBKRMMQIVHXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-14(22)19-15-8-9-17(24-2)16(12-15)20-18(23)13-21-10-6-4-3-5-7-11-21/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-(azocan-1-yl)acetamide?
N-(5-acetamido-2-methoxyphenyl)-2-(azocan-1-yl)acetamide has a molecular weight of 333.43 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2-(azocan-1-yl)acetamide is sourced from PubChem (CID 8680244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).