3,5-bis(cyclohexanecarbonylamino)-N-(1,3-dioxoisoindol-5-yl)benzamide

C29H32N4O5 — CID 17172126

IUPAC3,5-bis(cyclohexanecarbonylamino)-N-(1,3-dioxoisoindol-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)C(=O)NC2=O)c1cc(NC(=O)C2CCCCC2)cc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C29H32N4O5/c34-25(17-7-3-1-4-8-17)31-21-13-19(14-22(15-21)32-26(35)18-9-5-2-6-10-18)27(36)30-20-11-12-23-24(16-20)29(38)33-28(23)37/h11-18H,1-10H2,(H,30,36)(H,31,34)(H,32,35)(H,33,37,38)
InChIKeyCKPMTENAUXOWMZ-UHFFFAOYSA-N
MW516.60 g/mol
LogP4.86
Rot. Bonds6

About 3,5-bis(cyclohexanecarbonylamino)-N-(1,3-dioxoisoindol-5-yl)benzamide

3,5-bis(cyclohexanecarbonylamino)-N-(1,3-dioxoisoindol-5-yl)benzamide (PubChem CID 17172126) has the molecular formula C29H32N4O5 and a molecular weight of 516.60 g/mol. Its IUPAC name is 3,5-bis(cyclohexanecarbonylamino)-N-(1,3-dioxoisoindol-5-yl)benzamide.

Molecular Properties

Compound Name3,5-bis(cyclohexanecarbonylamino)-N-(1,3-dioxoisoindol-5-yl)benzamide
PubChem CID17172126
Molecular FormulaC29H32N4O5
Molecular Weight516.60 g/mol
Exact Mass516.24
IUPAC Name3,5-bis(cyclohexanecarbonylamino)-N-(1,3-dioxoisoindol-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)C(=O)NC2=O)c1cc(NC(=O)C2CCCCC2)cc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C29H32N4O5/c34-25(17-7-3-1-4-8-17)31-21-13-19(14-22(15-21)32-26(35)18-9-5-2-6-10-18)27(36)30-20-11-12-23-24(16-20)29(38)33-28(23)37/h11-18H,1-10H2,(H,30,36)(H,31,34)(H,32,35)(H,33,37,38)
InChIKeyCKPMTENAUXOWMZ-UHFFFAOYSA-N
XLogP4.86
TPSA133.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.60
LogP ≤ 54.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-dioxoisoindol-5-yl)cyclopentanecarboxamide
CID 17172079
N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanecarboxamide
CID 162658656
4-fluoro-N-(1,3,4-trioxoisoquinolin-6-yl)benzamide
CID 58662519
N-(1,3-dioxoisoindol-5-yl)-4-phenylbenzamide
CID 2953655
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)cyclopentanecarboxamide
CID 56764976
N-(1,3-dioxoisoindol-5-yl)-3,4,5-trimethoxybenzamide
CID 2230182
3-N-(5-chloro-2-pyridinyl)-1-N-(1,3-dioxoisoindol-5-yl)piperidine-1,3-dicarboxamide
CID 154833960
4-chloro-N-(1,3,4-trioxoisoquinolin-6-yl)benzamide
CID 58662497
3-amino-N-[3-(cyclohexanecarbonylamino)phenyl]benzamide;hydrochloride
CID 119814644
1-cyclopropyl-3-(1,3-dioxoisoindol-5-yl)thiourea
CID 116507247
1-[(1,3-dioxoisoindol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096392

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(cyclohexanecarbonylamino)-N-(1,3-dioxoisoindol-5-yl)benzamide?
The IUPAC name of 3,5-bis(cyclohexanecarbonylamino)-N-(1,3-dioxoisoindol-5-yl)benzamide (CID 17172126) is 3,5-bis(cyclohexanecarbonylamino)-N-(1,3-dioxoisoindol-5-yl)benzamide.
What is the SMILES notation for 3,5-bis(cyclohexanecarbonylamino)-N-(1,3-dioxoisoindol-5-yl)benzamide?
The canonical SMILES for 3,5-bis(cyclohexanecarbonylamino)-N-(1,3-dioxoisoindol-5-yl)benzamide is O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1cc(NC(=O)C2CCCCC2)cc(NC(=O)C2CCCCC2)c1.
What is the InChIKey of 3,5-bis(cyclohexanecarbonylamino)-N-(1,3-dioxoisoindol-5-yl)benzamide?
The InChIKey is CKPMTENAUXOWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O5/c34-25(17-7-3-1-4-8-17)31-21-13-19(14-22(15-21)32-26(35)18-9-5-2-6-10-18)27(36)30-20-11-12-23-24(16-20)29(38)33-28(23)37/h11-18H,1-10H2,(H,30,36)(H,31,34)(H,32,35)(H,33,37,38).
What are the key properties of 3,5-bis(cyclohexanecarbonylamino)-N-(1,3-dioxoisoindol-5-yl)benzamide?
3,5-bis(cyclohexanecarbonylamino)-N-(1,3-dioxoisoindol-5-yl)benzamide has a molecular weight of 516.60 g/mol, XLogP of 4.86, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(cyclohexanecarbonylamino)-N-(1,3-dioxoisoindol-5-yl)benzamide is sourced from PubChem (CID 17172126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).