N-cyclopentyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

C16H18N2O2 — CID 18136582

IUPACN-cyclopentyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NC1CCCC1
InChIInChI=1S/C16H18N2O2/c1-11-13-8-4-5-9-14(13)16(20)18(11)10-15(19)17-12-6-2-3-7-12/h4-5,8-9,12H,1-3,6-7,10H2,(H,17,19)
InChIKeyPYGBIAIPTFHXLP-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.17
Rot. Bonds3

About N-cyclopentyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

N-cyclopentyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (PubChem CID 18136582) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-cyclopentyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
PubChem CID18136582
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-cyclopentyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NC1CCCC1
InChIInChI=1S/C16H18N2O2/c1-11-13-8-4-5-9-14(13)16(20)18(11)10-15(19)17-12-6-2-3-7-12/h4-5,8-9,12H,1-3,6-7,10H2,(H,17,19)
InChIKeyPYGBIAIPTFHXLP-UHFFFAOYSA-N
XLogP2.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 119477416
4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229704
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
N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 97015881
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-cyclohexylacetamide
CID 113201443
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 94122073
2-[(2-hydroxycyclohexyl)methyl]-3-methylideneisoindol-1-one
CID 64911476
2-(1,3-dioxoisoindol-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7777606
N-[2-(cycloheptylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide;hydrochloride
CID 119620644
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
CID 92863110
N-[(1-hydroxycycloheptyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 111433260

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (CID 18136582) is N-cyclopentyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is C=C1c2ccccc2C(=O)N1CC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The InChIKey is PYGBIAIPTFHXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-13-8-4-5-9-14(13)16(20)18(11)10-15(19)17-12-6-2-3-7-12/h4-5,8-9,12H,1-3,6-7,10H2,(H,17,19).
What are the key properties of N-cyclopentyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
N-cyclopentyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide has a molecular weight of 270.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is sourced from PubChem (CID 18136582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).