2-(4-methoxyazepan-1-yl)-N-(2-propan-2-ylphenyl)acetamide

C18H28N2O2 — CID 136522491

IUPAC2-(4-methoxyazepan-1-yl)-N-(2-propan-2-ylphenyl)acetamide
SMILESCOC1CCCN(CC(=O)Nc2ccccc2C(C)C)CC1
InChIInChI=1S/C18H28N2O2/c1-14(2)16-8-4-5-9-17(16)19-18(21)13-20-11-6-7-15(22-3)10-12-20/h4-5,8-9,14-15H,6-7,10-13H2,1-3H3,(H,19,21)
InChIKeyXUWIQIYEULASKP-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.25
Rot. Bonds5

About 2-(4-methoxyazepan-1-yl)-N-(2-propan-2-ylphenyl)acetamide

2-(4-methoxyazepan-1-yl)-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 136522491) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-(4-methoxyazepan-1-yl)-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyazepan-1-yl)-N-(2-propan-2-ylphenyl)acetamide
PubChem CID136522491
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-(4-methoxyazepan-1-yl)-N-(2-propan-2-ylphenyl)acetamide
SMILESCOC1CCCN(CC(=O)Nc2ccccc2C(C)C)CC1
InChIInChI=1S/C18H28N2O2/c1-14(2)16-8-4-5-9-17(16)19-18(21)13-20-11-6-7-15(22-3)10-12-20/h4-5,8-9,14-15H,6-7,10-13H2,1-3H3,(H,19,21)
InChIKeyXUWIQIYEULASKP-UHFFFAOYSA-N
XLogP3.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxamide
CID 9305645
ethyl (3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxylate
CID 8532875
2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8904308
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110877789
1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 9134290
N-(2-methoxyphenyl)-2-[(3S)-3-methoxypiperidin-1-yl]acetamide
CID 124505947
2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 2653936
1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-propylpiperidine-4-carboxamide
CID 86920153
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 115647804
2-(2-methylpiperidin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 18078477
2-[(2R)-2-methylpiperidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 2655206
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110918990

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyazepan-1-yl)-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(4-methoxyazepan-1-yl)-N-(2-propan-2-ylphenyl)acetamide (CID 136522491) is 2-(4-methoxyazepan-1-yl)-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-methoxyazepan-1-yl)-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4-methoxyazepan-1-yl)-N-(2-propan-2-ylphenyl)acetamide is COC1CCCN(CC(=O)Nc2ccccc2C(C)C)CC1.
What is the InChIKey of 2-(4-methoxyazepan-1-yl)-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is XUWIQIYEULASKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14(2)16-8-4-5-9-17(16)19-18(21)13-20-11-6-7-15(22-3)10-12-20/h4-5,8-9,14-15H,6-7,10-13H2,1-3H3,(H,19,21).
What are the key properties of 2-(4-methoxyazepan-1-yl)-N-(2-propan-2-ylphenyl)acetamide?
2-(4-methoxyazepan-1-yl)-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 304.43 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyazepan-1-yl)-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 136522491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).