2-(2-oxoazepan-1-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide

C18H25N3O2 — CID 30583518

IUPAC2-(2-oxoazepan-1-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CN1CCCCCC1=O)Nc1ccccc1N1CCCC1
InChIInChI=1S/C18H25N3O2/c22-17(14-21-13-5-1-2-10-18(21)23)19-15-8-3-4-9-16(15)20-11-6-7-12-20/h3-4,8-9H,1-2,5-7,10-14H2,(H,19,22)
InChIKeyOCMPKKJJUTYNNO-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.63
Rot. Bonds4

About 2-(2-oxoazepan-1-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide

2-(2-oxoazepan-1-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 30583518) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-(2-oxoazepan-1-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-oxoazepan-1-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
PubChem CID30583518
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-(2-oxoazepan-1-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CN1CCCCCC1=O)Nc1ccccc1N1CCCC1
InChIInChI=1S/C18H25N3O2/c22-17(14-21-13-5-1-2-10-18(21)23)19-15-8-3-4-9-16(15)20-11-6-7-12-20/h3-4,8-9H,1-2,5-7,10-14H2,(H,19,22)
InChIKeyOCMPKKJJUTYNNO-UHFFFAOYSA-N
XLogP2.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-morpholin-4-ylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 17497069
N-(2-morpholin-4-ylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78865765
2-(2-oxopiperidin-1-yl)-N-(2-pyrazol-1-ylphenyl)acetamide
CID 78883367
N-(2-carbamothioylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 29276180
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2-piperidin-1-ylphenyl)benzamide
CID 32760714
N-[2-(azepan-1-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 38282948
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
2-amino-N-(2-piperidin-1-ylphenyl)acetamide;dihydrochloride
CID 119828044
N-[2-(azepan-1-yl)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 128925593
N-(2-cyclopentyloxyphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78891418
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 51195953
2-(4-aminophenyl)-N-[2-(azepan-1-yl)phenyl]acetamide
CID 119842058

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoazepan-1-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(2-oxoazepan-1-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide (CID 30583518) is 2-(2-oxoazepan-1-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-oxoazepan-1-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(2-oxoazepan-1-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide is O=C(CN1CCCCCC1=O)Nc1ccccc1N1CCCC1.
What is the InChIKey of 2-(2-oxoazepan-1-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is OCMPKKJJUTYNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-17(14-21-13-5-1-2-10-18(21)23)19-15-8-3-4-9-16(15)20-11-6-7-12-20/h3-4,8-9H,1-2,5-7,10-14H2,(H,19,22).
What are the key properties of 2-(2-oxoazepan-1-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
2-(2-oxoazepan-1-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 315.42 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoazepan-1-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 30583518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).