N-(4-aminocyclohexyl)-2-(1,3-dioxoisoindol-2-yl)acetamide

C16H19N3O3 — CID 119477416

IUPACN-(4-aminocyclohexyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESNC1CCC(NC(=O)CN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C16H19N3O3/c17-10-5-7-11(8-6-10)18-14(20)9-19-15(21)12-3-1-2-4-13(12)16(19)22/h1-4,10-11H,5-9,17H2,(H,18,20)
InChIKeyYYQPARSFNDRKFX-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.67
Rot. Bonds3

About N-(4-aminocyclohexyl)-2-(1,3-dioxoisoindol-2-yl)acetamide

N-(4-aminocyclohexyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 119477416) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID119477416
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-(4-aminocyclohexyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESNC1CCC(NC(=O)CN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C16H19N3O3/c17-10-5-7-11(8-6-10)18-14(20)9-19-15(21)12-3-1-2-4-13(12)16(19)22/h1-4,10-11H,5-9,17H2,(H,18,20)
InChIKeyYYQPARSFNDRKFX-UHFFFAOYSA-N
XLogP0.67
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229704
N-cyclopentyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18136582
trans-(1R,3R)-3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]cyclohexane-1-carboxamide
CID 97083300
3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]cyclohexane-1-carboxamide
CID 71930321
2-(1,3-dioxoisoindol-2-yl)-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 108551996
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120601411
2-(1,3-dioxoisoindol-2-yl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108551988
2-(1,3-dioxoisoindol-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7777606
2-(1,3-dioxoisoindol-2-yl)-N-(2-oxothiolan-3-yl)acetamide
CID 2904820
2-(1,3-dioxoisoindol-2-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108551944
2-(1,3-dioxoisoindol-2-yl)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108551978
N-(2,3-dihydro-1H-inden-1-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 51273562

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 119477416) is N-(4-aminocyclohexyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is NC1CCC(NC(=O)CN2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is YYQPARSFNDRKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c17-10-5-7-11(8-6-10)18-14(20)9-19-15(21)12-3-1-2-4-13(12)16(19)22/h1-4,10-11H,5-9,17H2,(H,18,20).
What are the key properties of N-(4-aminocyclohexyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-(4-aminocyclohexyl)-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 301.35 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 119477416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).