N-[(1-hydroxycycloheptyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

C19H24N2O3 — CID 111433260

IUPACN-[(1-hydroxycycloheptyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C19H24N2O3/c1-14-15-8-4-5-9-16(15)18(23)21(14)12-17(22)20-13-19(24)10-6-2-3-7-11-19/h4-5,8-9,24H,1-3,6-7,10-13H2,(H,20,22)
InChIKeyGOQJUGKYSOJVKE-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.31
Rot. Bonds4

About N-[(1-hydroxycycloheptyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

N-[(1-hydroxycycloheptyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (PubChem CID 111433260) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[(1-hydroxycycloheptyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxycycloheptyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
PubChem CID111433260
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[(1-hydroxycycloheptyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C19H24N2O3/c1-14-15-8-4-5-9-16(15)18(23)21(14)12-17(22)20-13-19(24)10-6-2-3-7-11-19/h4-5,8-9,24H,1-3,6-7,10-13H2,(H,20,22)
InChIKeyGOQJUGKYSOJVKE-UHFFFAOYSA-N
XLogP2.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (CID 111433260) is N-[(1-hydroxycycloheptyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[(1-hydroxycycloheptyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[(1-hydroxycycloheptyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is C=C1c2ccccc2C(=O)N1CC(=O)NCC1(O)CCCCCC1.
What is the InChIKey of N-[(1-hydroxycycloheptyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The InChIKey is GOQJUGKYSOJVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14-15-8-4-5-9-16(15)18(23)21(14)12-17(22)20-13-19(24)10-6-2-3-7-11-19/h4-5,8-9,24H,1-3,6-7,10-13H2,(H,20,22).
What are the key properties of N-[(1-hydroxycycloheptyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
N-[(1-hydroxycycloheptyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide has a molecular weight of 328.41 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycycloheptyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is sourced from PubChem (CID 111433260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).