N-cycloheptyl-2-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide

C20H28N2O3 — CID 3239212

IUPACN-cycloheptyl-2-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide
SMILESCOCCCN1C(=O)c2ccccc2C1C(=O)NC1CCCCCC1
InChIInChI=1S/C20H28N2O3/c1-25-14-8-13-22-18(16-11-6-7-12-17(16)20(22)24)19(23)21-15-9-4-2-3-5-10-15/h6-7,11-12,15,18H,2-5,8-10,13-14H2,1H3,(H,21,23)
InChIKeyIRXBSNOVLTWWFB-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.06
Rot. Bonds6

About N-cycloheptyl-2-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide

N-cycloheptyl-2-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide (PubChem CID 3239212) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-cycloheptyl-2-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide
PubChem CID3239212
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC NameN-cycloheptyl-2-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide
SMILESCOCCCN1C(=O)c2ccccc2C1C(=O)NC1CCCCCC1
InChIInChI=1S/C20H28N2O3/c1-25-14-8-13-22-18(16-11-6-7-12-17(16)20(22)24)19(23)21-15-9-4-2-3-5-10-15/h6-7,11-12,15,18H,2-5,8-10,13-14H2,1H3,(H,21,23)
InChIKeyIRXBSNOVLTWWFB-UHFFFAOYSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Thalidomide
CID 5426
(S)-Thalidomide
CID 92142
3-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-2,6-piperidinedione
CID 91585
(R)-Thalidomide
CID 75792
2-(3-Methoxypropyl)-3-Oxo-2,3-Dihydro-1h-Isoindole-4-Carboxamide
CID 20854918
Cc-11006
CID 10155135
A-2545
CID 185295
2-Phthalimidoacetamide
CID 21053
N-(2-Oxo-3-piperidyl)phthalimide
CID 135339
N-Methylthalidomide
CID 101195
1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-4-fluoro-
CID 11859051
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-2,3-dihydro-1H-isoindole-1,3-dione
CID 70876201

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide?
The IUPAC name of N-cycloheptyl-2-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide (CID 3239212) is N-cycloheptyl-2-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide?
The canonical SMILES for N-cycloheptyl-2-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide is COCCCN1C(=O)c2ccccc2C1C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide?
The InChIKey is IRXBSNOVLTWWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-25-14-8-13-22-18(16-11-6-7-12-17(16)20(22)24)19(23)21-15-9-4-2-3-5-10-15/h6-7,11-12,15,18H,2-5,8-10,13-14H2,1H3,(H,21,23).
What are the key properties of N-cycloheptyl-2-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide?
N-cycloheptyl-2-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide is sourced from PubChem (CID 3239212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).