N-(1-cyanocycloheptyl)-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetamide

C19H22N4O3 — CID 33005767

IUPACN-(1-cyanocycloheptyl)-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetamide
SMILESCN1C(=O)c2ccc(NCC(=O)NC3(C#N)CCCCCC3)cc2C1=O
InChIInChI=1S/C19H22N4O3/c1-23-17(25)14-7-6-13(10-15(14)18(23)26)21-11-16(24)22-19(12-20)8-4-2-3-5-9-19/h6-7,10,21H,2-5,8-9,11H2,1H3,(H,22,24)
InChIKeyFVXXGXJJXIEPND-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.06
Rot. Bonds4

About N-(1-cyanocycloheptyl)-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetamide

N-(1-cyanocycloheptyl)-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetamide (PubChem CID 33005767) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetamide
PubChem CID33005767
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-(1-cyanocycloheptyl)-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetamide
SMILESCN1C(=O)c2ccc(NCC(=O)NC3(C#N)CCCCCC3)cc2C1=O
InChIInChI=1S/C19H22N4O3/c1-23-17(25)14-7-6-13(10-15(14)18(23)26)21-11-16(24)22-19(12-20)8-4-2-3-5-9-19/h6-7,10,21H,2-5,8-9,11H2,1H3,(H,22,24)
InChIKeyFVXXGXJJXIEPND-UHFFFAOYSA-N
XLogP2.06
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

methyl 2-chloro-5-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]amino]benzoate
CID 37230490
2-(4-cyanoanilino)-N-(1-cyanocyclopentyl)acetamide
CID 26507758
2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetic acid
CID 28897269
N-(1-cyanocyclohexyl)-2-[3-(hydroxymethyl)anilino]acetamide
CID 110877972
N-(1-cyanocyclohexyl)-2-(3,5-dichloroanilino)acetamide
CID 51183090
N-(1-cyanocycloheptyl)-2-(2,6-dimethylanilino)acetamide
CID 32908656
2-(4-chloro-3-nitroanilino)-N-(1-cyanocyclohexyl)acetamide
CID 37478786
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(1-cyanocyclopentyl)acetamide
CID 37479013
N-(1-cyanocyclohexyl)-2-[4-(difluoromethoxy)anilino]acetamide
CID 36586094
N-(1-cyanocyclohexyl)-2-(2,4-dimethylanilino)acetamide
CID 51183021
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46816432
2-chloro-4-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide
CID 47064262

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetamide?
The IUPAC name of N-(1-cyanocycloheptyl)-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetamide (CID 33005767) is N-(1-cyanocycloheptyl)-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetamide is CN1C(=O)c2ccc(NCC(=O)NC3(C#N)CCCCCC3)cc2C1=O.
What is the InChIKey of N-(1-cyanocycloheptyl)-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetamide?
The InChIKey is FVXXGXJJXIEPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-23-17(25)14-7-6-13(10-15(14)18(23)26)21-11-16(24)22-19(12-20)8-4-2-3-5-9-19/h6-7,10,21H,2-5,8-9,11H2,1H3,(H,22,24).
What are the key properties of N-(1-cyanocycloheptyl)-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetamide?
N-(1-cyanocycloheptyl)-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetamide has a molecular weight of 354.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetamide is sourced from PubChem (CID 33005767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).