4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide

C20H24N2O4 — CID 86993083

IUPAC4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)N(C)Cc1cccnc1
InChIInChI=1S/C20H24N2O4/c1-15(23)17-8-9-18(19(12-17)25-3)26-11-5-7-20(24)22(2)14-16-6-4-10-21-13-16/h4,6,8-10,12-13H,5,7,11,14H2,1-3H3
InChIKeyUOJOSYUNDHDYIK-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.11
Rot. Bonds9

About 4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide

4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 86993083) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide
PubChem CID86993083
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)N(C)Cc1cccnc1
InChIInChI=1S/C20H24N2O4/c1-15(23)17-8-9-18(19(12-17)25-3)26-11-5-7-20(24)22(2)14-16-6-4-10-21-13-16/h4,6,8-10,12-13H,5,7,11,14H2,1-3H3
InChIKeyUOJOSYUNDHDYIK-UHFFFAOYSA-N
XLogP3.11
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 87010748
4-(2-fluorophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 86822663
3-methoxy-N-methyl-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 86932709
3-[4-(4-acetyl-2-methoxyphenoxy)butanoyl-methylamino]-2-methylpropanoic acid
CID 119227817
N-methyl-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110724694
4-[(4-bromophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 78886268
N-methyl-5-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)pentanamide
CID 47488024
N-methyl-N-(pyridin-3-ylmethyl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 86822666
2-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78806852
6-(4-acetyl-2-methoxyphenoxy)hexan-2-one
CID 62029689
2-[4-(4-acetyl-2-methoxyphenoxy)butanoyl-methylamino]-2-methylpropanoic acid
CID 119199926
4-[4-ethoxy-3-methoxy-N-(pyridin-3-ylmethyl)anilino]benzoic acid
CID 59179014

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide (CID 86993083) is 4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide is COc1cc(C(C)=O)ccc1OCCCC(=O)N(C)Cc1cccnc1.
What is the InChIKey of 4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is UOJOSYUNDHDYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-15(23)17-8-9-18(19(12-17)25-3)26-11-5-7-20(24)22(2)14-16-6-4-10-21-13-16/h4,6,8-10,12-13H,5,7,11,14H2,1-3H3.
What are the key properties of 4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide?
4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 356.42 g/mol, XLogP of 3.11, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 86993083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).