2-(2,5-dimethoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide

C19H28N2O4 — CID 78822014

IUPAC2-(2,5-dimethoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
SMILESCOc1ccc(OC)c(CC(=O)NCCCN2CCCCCC2=O)c1
InChIInChI=1S/C19H28N2O4/c1-24-16-8-9-17(25-2)15(13-16)14-18(22)20-10-6-12-21-11-5-3-4-7-19(21)23/h8-9,13H,3-7,10-12,14H2,1-2H3,(H,20,22)
InChIKeyZMUZJCPBLMPJAU-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.16
Rot. Bonds8

About 2-(2,5-dimethoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide

2-(2,5-dimethoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide (PubChem CID 78822014) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
PubChem CID78822014
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name2-(2,5-dimethoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
SMILESCOc1ccc(OC)c(CC(=O)NCCCN2CCCCCC2=O)c1
InChIInChI=1S/C19H28N2O4/c1-24-16-8-9-17(25-2)15(13-16)14-18(22)20-10-6-12-21-11-5-3-4-7-19(21)23/h8-9,13H,3-7,10-12,14H2,1-2H3,(H,20,22)
InChIKeyZMUZJCPBLMPJAU-UHFFFAOYSA-N
XLogP2.16
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.16
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

2-(3-methoxyphenyl)-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 110722800
6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-2-carboxamide
CID 24949519
2-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802433
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 42454269
2-(2,5-dimethoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119446777
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 131949482
2-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
CID 78879562
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 9130268
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 108891289
1-(4-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 2215682
2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 54592450
2-(2,5-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 78820291

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide (CID 78822014) is 2-(2,5-dimethoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide is COc1ccc(OC)c(CC(=O)NCCCN2CCCCCC2=O)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide?
The InChIKey is ZMUZJCPBLMPJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-24-16-8-9-17(25-2)15(13-16)14-18(22)20-10-6-12-21-11-5-3-4-7-19(21)23/h8-9,13H,3-7,10-12,14H2,1-2H3,(H,20,22).
What are the key properties of 2-(2,5-dimethoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide?
2-(2,5-dimethoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide has a molecular weight of 348.44 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide is sourced from PubChem (CID 78822014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).