N-cycloheptyl-4-(1,3-dioxoisoindol-2-yl)butanamide

C19H24N2O3 — CID 2066140

IUPACN-cycloheptyl-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)NC1CCCCCC1
InChIInChI=1S/C19H24N2O3/c22-17(20-14-8-3-1-2-4-9-14)12-7-13-21-18(23)15-10-5-6-11-16(15)19(21)24/h5-6,10-11,14H,1-4,7-9,12-13H2,(H,20,22)
InChIKeyYPCOWPQYYMWOSA-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.90
Rot. Bonds5

About N-cycloheptyl-4-(1,3-dioxoisoindol-2-yl)butanamide

N-cycloheptyl-4-(1,3-dioxoisoindol-2-yl)butanamide (PubChem CID 2066140) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-cycloheptyl-4-(1,3-dioxoisoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-cycloheptyl-4-(1,3-dioxoisoindol-2-yl)butanamide
PubChem CID2066140
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-cycloheptyl-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)NC1CCCCCC1
InChIInChI=1S/C19H24N2O3/c22-17(20-14-8-3-1-2-4-9-14)12-7-13-21-18(23)15-10-5-6-11-16(15)19(21)24/h5-6,10-11,14H,1-4,7-9,12-13H2,(H,20,22)
InChIKeyYPCOWPQYYMWOSA-UHFFFAOYSA-N
XLogP2.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-(1,3-dioxoisoindol-2-yl)butanamide?
The IUPAC name of N-cycloheptyl-4-(1,3-dioxoisoindol-2-yl)butanamide (CID 2066140) is N-cycloheptyl-4-(1,3-dioxoisoindol-2-yl)butanamide.
What is the SMILES notation for N-cycloheptyl-4-(1,3-dioxoisoindol-2-yl)butanamide?
The canonical SMILES for N-cycloheptyl-4-(1,3-dioxoisoindol-2-yl)butanamide is O=C(CCCN1C(=O)c2ccccc2C1=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-4-(1,3-dioxoisoindol-2-yl)butanamide?
The InChIKey is YPCOWPQYYMWOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-17(20-14-8-3-1-2-4-9-14)12-7-13-21-18(23)15-10-5-6-11-16(15)19(21)24/h5-6,10-11,14H,1-4,7-9,12-13H2,(H,20,22).
What are the key properties of N-cycloheptyl-4-(1,3-dioxoisoindol-2-yl)butanamide?
N-cycloheptyl-4-(1,3-dioxoisoindol-2-yl)butanamide has a molecular weight of 328.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-(1,3-dioxoisoindol-2-yl)butanamide is sourced from PubChem (CID 2066140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).