4-(4-acetyl-2-methoxyphenoxy)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]butanamide

C24H38N2O4 — CID 60568950

IUPAC4-(4-acetyl-2-methoxyphenoxy)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]butanamide
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)NCC(C)(C)N1CC(C)CC(C)C1
InChIInChI=1S/C24H38N2O4/c1-17-12-18(2)15-26(14-17)24(4,5)16-25-23(28)8-7-11-30-21-10-9-20(19(3)27)13-22(21)29-6/h9-10,13,17-18H,7-8,11-12,14-16H2,1-6H3,(H,25,28)
InChIKeySIEZLWVMPGDHKC-UHFFFAOYSA-N
MW418.58 g/mol
LogP3.93
Rot. Bonds10

About 4-(4-acetyl-2-methoxyphenoxy)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]butanamide

4-(4-acetyl-2-methoxyphenoxy)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]butanamide (PubChem CID 60568950) has the molecular formula C24H38N2O4 and a molecular weight of 418.58 g/mol. Its IUPAC name is 4-(4-acetyl-2-methoxyphenoxy)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]butanamide.

Molecular Properties

Compound Name4-(4-acetyl-2-methoxyphenoxy)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]butanamide
PubChem CID60568950
Molecular FormulaC24H38N2O4
Molecular Weight418.58 g/mol
Exact Mass418.28
IUPAC Name4-(4-acetyl-2-methoxyphenoxy)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]butanamide
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)NCC(C)(C)N1CC(C)CC(C)C1
InChIInChI=1S/C24H38N2O4/c1-17-12-18(2)15-26(14-17)24(4,5)16-25-23(28)8-7-11-30-21-10-9-20(19(3)27)13-22(21)29-6/h9-10,13,17-18H,7-8,11-12,14-16H2,1-6H3,(H,25,28)
InChIKeySIEZLWVMPGDHKC-UHFFFAOYSA-N
XLogP3.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-acetyl-2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide
CID 55743530
4-(4-acetyl-2-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)butanamide
CID 120601904
N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-4-(methylamino)butanamide;dihydrochloride
CID 119863420
N-[2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]ethyl]-4-chlorobenzamide
CID 55761848
4-(4-acetyl-2-methoxyphenoxy)-N'-[4-(2,4-dichlorophenoxy)butanoyl]butanehydrazide
CID 55741701
4-(4-acetyl-2-methoxyphenoxy)-N-piperidin-4-ylbutanamide;hydrochloride
CID 119388425
4-(4-acetyl-2-methoxyphenoxy)-N-[2-(2,6-dichlorophenyl)ethyl]butanamide
CID 60566414
1-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-3-methoxyphenyl]ethanone
CID 7379476
6-(4-acetyl-2-methoxyphenoxy)hexan-2-one
CID 62029689
5-[[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]methyl]furan-2-carboxylic acid
CID 119245692
4-(4-acetyl-2-methoxyphenoxy)-1-[3-(aminomethyl)pyrrolidin-1-yl]butan-1-one
CID 119485550
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]ethanone
CID 60778711

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetyl-2-methoxyphenoxy)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]butanamide?
The IUPAC name of 4-(4-acetyl-2-methoxyphenoxy)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]butanamide (CID 60568950) is 4-(4-acetyl-2-methoxyphenoxy)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]butanamide.
What is the SMILES notation for 4-(4-acetyl-2-methoxyphenoxy)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]butanamide?
The canonical SMILES for 4-(4-acetyl-2-methoxyphenoxy)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]butanamide is COc1cc(C(C)=O)ccc1OCCCC(=O)NCC(C)(C)N1CC(C)CC(C)C1.
What is the InChIKey of 4-(4-acetyl-2-methoxyphenoxy)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]butanamide?
The InChIKey is SIEZLWVMPGDHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O4/c1-17-12-18(2)15-26(14-17)24(4,5)16-25-23(28)8-7-11-30-21-10-9-20(19(3)27)13-22(21)29-6/h9-10,13,17-18H,7-8,11-12,14-16H2,1-6H3,(H,25,28).
What are the key properties of 4-(4-acetyl-2-methoxyphenoxy)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]butanamide?
4-(4-acetyl-2-methoxyphenoxy)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]butanamide has a molecular weight of 418.58 g/mol, XLogP of 3.93, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetyl-2-methoxyphenoxy)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]butanamide is sourced from PubChem (CID 60568950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).