N-[2-(azepan-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide

C20H24N2O2 — CID 7964073

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NCC(=O)N1CCCCCC1
InChIInChI=1S/C20H24N2O2/c23-19(21-15-20(24)22-12-5-1-2-6-13-22)14-17-10-7-9-16-8-3-4-11-18(16)17/h3-4,7-11H,1-2,5-6,12-15H2,(H,21,23)
InChIKeyQZUCWNUVHBCMIZ-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.90
Rot. Bonds4

About N-[2-(azepan-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide

N-[2-(azepan-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide (PubChem CID 7964073) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide
PubChem CID7964073
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NCC(=O)N1CCCCCC1
InChIInChI=1S/C20H24N2O2/c23-19(21-15-20(24)22-12-5-1-2-6-13-22)14-17-10-7-9-16-8-3-4-11-18(16)17/h3-4,7-11H,1-2,5-6,12-15H2,(H,21,23)
InChIKeyQZUCWNUVHBCMIZ-UHFFFAOYSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(azepan-1-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8574012
2-(2-chlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 110712323
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 119379657
N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7964463
2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
CID 905345
N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 119490921
2-(2-aminophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 115597732
N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55495315
2-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 112990865
N-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 119519046
2-naphthalen-1-yl-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide
CID 18125482
(2R)-1-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119371080

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide (CID 7964073) is N-[2-(azepan-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)NCC(=O)N1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is QZUCWNUVHBCMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-19(21-15-20(24)22-12-5-1-2-6-13-22)14-17-10-7-9-16-8-3-4-11-18(16)17/h3-4,7-11H,1-2,5-6,12-15H2,(H,21,23).
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 324.42 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 7964073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).