N-cycloheptyl-3-oxo-2-propan-2-yl-1H-isoindole-1-carboxamide

C19H26N2O2 — CID 3238693

IUPACN-cycloheptyl-3-oxo-2-propan-2-yl-1H-isoindole-1-carboxamide
SMILESCC(C)N1C(=O)c2ccccc2C1C(=O)NC1CCCCCC1
InChIInChI=1S/C19H26N2O2/c1-13(2)21-17(15-11-7-8-12-16(15)19(21)23)18(22)20-14-9-5-3-4-6-10-14/h7-8,11-14,17H,3-6,9-10H2,1-2H3,(H,20,22)
InChIKeyBZQUHMAOJLSBRD-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.43
Rot. Bonds3

About N-cycloheptyl-3-oxo-2-propan-2-yl-1H-isoindole-1-carboxamide

N-cycloheptyl-3-oxo-2-propan-2-yl-1H-isoindole-1-carboxamide (PubChem CID 3238693) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-cycloheptyl-3-oxo-2-propan-2-yl-1H-isoindole-1-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-3-oxo-2-propan-2-yl-1H-isoindole-1-carboxamide
PubChem CID3238693
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-cycloheptyl-3-oxo-2-propan-2-yl-1H-isoindole-1-carboxamide
SMILESCC(C)N1C(=O)c2ccccc2C1C(=O)NC1CCCCCC1
InChIInChI=1S/C19H26N2O2/c1-13(2)21-17(15-11-7-8-12-16(15)19(21)23)18(22)20-14-9-5-3-4-6-10-14/h7-8,11-14,17H,3-6,9-10H2,1-2H3,(H,20,22)
InChIKeyBZQUHMAOJLSBRD-UHFFFAOYSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
CID 3293225
2-cyclooctyl-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
CID 4252906
N-cyclohexyl-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide
CID 3990876
N-cyclohexyl-2-(2-hydroxyethyl)-3-oxo-1H-isoindole-1-carboxamide
CID 68771680
N-cyclopropyl-2,5-dioxo-4-propan-2-yl-1,3-dihydro-1,4-benzodiazepine-3-carboxamide
CID 53384173
N-cycloheptyl-2-[2-(N-ethylanilino)ethyl]-3-oxo-1H-isoindole-1-carboxamide
CID 4550253
N-cyclooctyl-2-[(4-ethoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 3585142
N-cycloheptyl-3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindole-1-carboxamide
CID 4247773
N-cyclohexyl-3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindole-1-carboxamide
CID 11840716
2-(3-chloro-4-methylphenyl)-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
CID 4120593
N-cycloheptyl-3-oxo-2-(3-pyrrolidin-1-ium-1-ylpropyl)-1H-isoindole-1-carboxamide
CID 4063441
N-cyclopropyl-4-[(3-oxo-2-propan-2-yl-1H-isoindol-1-yl)amino]benzamide
CID 3458349

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-oxo-2-propan-2-yl-1H-isoindole-1-carboxamide?
The IUPAC name of N-cycloheptyl-3-oxo-2-propan-2-yl-1H-isoindole-1-carboxamide (CID 3238693) is N-cycloheptyl-3-oxo-2-propan-2-yl-1H-isoindole-1-carboxamide.
What is the SMILES notation for N-cycloheptyl-3-oxo-2-propan-2-yl-1H-isoindole-1-carboxamide?
The canonical SMILES for N-cycloheptyl-3-oxo-2-propan-2-yl-1H-isoindole-1-carboxamide is CC(C)N1C(=O)c2ccccc2C1C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-3-oxo-2-propan-2-yl-1H-isoindole-1-carboxamide?
The InChIKey is BZQUHMAOJLSBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13(2)21-17(15-11-7-8-12-16(15)19(21)23)18(22)20-14-9-5-3-4-6-10-14/h7-8,11-14,17H,3-6,9-10H2,1-2H3,(H,20,22).
What are the key properties of N-cycloheptyl-3-oxo-2-propan-2-yl-1H-isoindole-1-carboxamide?
N-cycloheptyl-3-oxo-2-propan-2-yl-1H-isoindole-1-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-oxo-2-propan-2-yl-1H-isoindole-1-carboxamide is sourced from PubChem (CID 3238693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).