[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium

C18H26N3O+ — CID 8907729

IUPAC[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium
SMILESCCc1ccc(C[NH+](C)CC(=O)NC2(C#N)CCCC2)cc1
InChIInChI=1S/C18H25N3O/c1-3-15-6-8-16(9-7-15)12-21(2)13-17(22)20-18(14-19)10-4-5-11-18/h6-9H,3-5,10-13H2,1-2H3,(H,20,22)/p+1
InChIKeyBBDRATWIJHGZHD-UHFFFAOYSA-O
MW300.43 g/mol
LogP1.22
Rot. Bonds6

About [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium

[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium (PubChem CID 8907729) has the molecular formula C18H26N3O+ and a molecular weight of 300.43 g/mol. Its IUPAC name is [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium
PubChem CID8907729
Molecular FormulaC18H26N3O+
Molecular Weight300.43 g/mol
Exact Mass300.21
IUPAC Name[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium
SMILESCCc1ccc(C[NH+](C)CC(=O)NC2(C#N)CCCC2)cc1
InChIInChI=1S/C18H25N3O/c1-3-15-6-8-16(9-7-15)12-21(2)13-17(22)20-18(14-19)10-4-5-11-18/h6-9H,3-5,10-13H2,1-2H3,(H,20,22)/p+1
InChIKeyBBDRATWIJHGZHD-UHFFFAOYSA-O
XLogP1.22
TPSA57.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250377
1,3-benzothiazol-2-ylmethyl-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-methylazanium
CID 8802865
2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide
CID 60659352
N-(1-cyanocyclopentyl)propanamide
CID 55029198
N-(1-cyanocyclopentyl)-2-(3,4-dimethylphenyl)acetamide
CID 55023977
N-(1-cyanocyclopentyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 60704808
N-(1-cyanocycloheptyl)-5-ethylfuran-2-carboxamide
CID 112731234
N-(1-cyanocycloheptyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55538676
3-(4-chlorophenyl)-N-(1-cyanocyclopentyl)propanamide
CID 78830459
N-(1-cyanocyclopentyl)-3-(4-cyanophenyl)propanamide
CID 78830549
N-(1-cyanocycloheptyl)-3-ethylthiophene-2-carboxamide
CID 78969874
(4-ethoxyphenyl)methyl-[2-(4-ethylanilino)-2-oxoethyl]-methylazanium
CID 8799368

Frequently Asked Questions

What is the IUPAC name of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium?
The IUPAC name of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium (CID 8907729) is [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium.
What is the SMILES notation for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium?
The canonical SMILES for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium is CCc1ccc(C[NH+](C)CC(=O)NC2(C#N)CCCC2)cc1.
What is the InChIKey of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium?
The InChIKey is BBDRATWIJHGZHD-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H25N3O/c1-3-15-6-8-16(9-7-15)12-21(2)13-17(22)20-18(14-19)10-4-5-11-18/h6-9H,3-5,10-13H2,1-2H3,(H,20,22)/p+1.
What are the key properties of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium?
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium has a molecular weight of 300.43 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium is sourced from PubChem (CID 8907729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).