2-(azocan-1-ium-1-yl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide

C19H27N2O2+ — CID 8680030

IUPAC2-(azocan-1-ium-1-yl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide
SMILESC[C@@H](NC(=O)C[NH+]1CCCCCCC1)c1cc2ccccc2o1
InChIInChI=1S/C19H26N2O2/c1-15(18-13-16-9-5-6-10-17(16)23-18)20-19(22)14-21-11-7-3-2-4-8-12-21/h5-6,9-10,13,15H,2-4,7-8,11-12,14H2,1H3,(H,20,22)/p+1/t15-/m1/s1
InChIKeySWDSAELUMNYUSO-OAHLLOKOSA-O
MW315.44 g/mol
LogP2.46
Rot. Bonds4

About 2-(azocan-1-ium-1-yl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide

2-(azocan-1-ium-1-yl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide (PubChem CID 8680030) has the molecular formula C19H27N2O2+ and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-(azocan-1-ium-1-yl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(azocan-1-ium-1-yl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide
PubChem CID8680030
Molecular FormulaC19H27N2O2+
Molecular Weight315.44 g/mol
Exact Mass315.21
IUPAC Name2-(azocan-1-ium-1-yl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide
SMILESC[C@@H](NC(=O)C[NH+]1CCCCCCC1)c1cc2ccccc2o1
InChIInChI=1S/C19H26N2O2/c1-15(18-13-16-9-5-6-10-17(16)23-18)20-19(22)14-21-11-7-3-2-4-8-12-21/h5-6,9-10,13,15H,2-4,7-8,11-12,14H2,1H3,(H,20,22)/p+1/t15-/m1/s1
InChIKeySWDSAELUMNYUSO-OAHLLOKOSA-O
XLogP2.46
TPSA46.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(azocan-1-ium-1-yl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide with MolForge

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Related Compounds

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepane-1,4-diium-1-yl]acetamide
CID 9131416
ethyl 1-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8773021
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8972445
N-[1-(1-benzofuran-2-yl)ethyl]-3-cyclohexylpropanamide
CID 18198408
N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854523
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide
CID 95134527
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
2-(azetidin-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide
CID 64618561
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 9366106

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-ium-1-yl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide?
The IUPAC name of 2-(azocan-1-ium-1-yl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide (CID 8680030) is 2-(azocan-1-ium-1-yl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(azocan-1-ium-1-yl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(azocan-1-ium-1-yl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide is C[C@@H](NC(=O)C[NH+]1CCCCCCC1)c1cc2ccccc2o1.
What is the InChIKey of 2-(azocan-1-ium-1-yl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide?
The InChIKey is SWDSAELUMNYUSO-OAHLLOKOSA-O. The full InChI is InChI=1S/C19H26N2O2/c1-15(18-13-16-9-5-6-10-17(16)23-18)20-19(22)14-21-11-7-3-2-4-8-12-21/h5-6,9-10,13,15H,2-4,7-8,11-12,14H2,1H3,(H,20,22)/p+1/t15-/m1/s1.
What are the key properties of 2-(azocan-1-ium-1-yl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide?
2-(azocan-1-ium-1-yl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide has a molecular weight of 315.44 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-ium-1-yl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide is sourced from PubChem (CID 8680030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).