5-(cyclopentanecarbonylamino)-1-N,3-N-bis(2-methylcyclohexyl)benzene-1,3-dicarboxamide

C28H41N3O3 — CID 58903264

IUPAC5-(cyclopentanecarbonylamino)-1-N,3-N-bis(2-methylcyclohexyl)benzene-1,3-dicarboxamide
SMILESCC1CCCCC1NC(=O)c1cc(NC(=O)C2CCCC2)cc(C(=O)NC2CCCCC2C)c1
InChIInChI=1S/C28H41N3O3/c1-18-9-3-7-13-24(18)30-27(33)21-15-22(28(34)31-25-14-8-4-10-19(25)2)17-23(16-21)29-26(32)20-11-5-6-12-20/h15-20,24-25H,3-14H2,1-2H3,(H,29,32)(H,30,33)(H,31,34)
InChIKeyGGPJSBPENCKKEL-UHFFFAOYSA-N
MW467.65 g/mol
LogP5.43
Rot. Bonds6

About 5-(cyclopentanecarbonylamino)-1-N,3-N-bis(2-methylcyclohexyl)benzene-1,3-dicarboxamide

5-(cyclopentanecarbonylamino)-1-N,3-N-bis(2-methylcyclohexyl)benzene-1,3-dicarboxamide (PubChem CID 58903264) has the molecular formula C28H41N3O3 and a molecular weight of 467.65 g/mol. Its IUPAC name is 5-(cyclopentanecarbonylamino)-1-N,3-N-bis(2-methylcyclohexyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-(cyclopentanecarbonylamino)-1-N,3-N-bis(2-methylcyclohexyl)benzene-1,3-dicarboxamide
PubChem CID58903264
Molecular FormulaC28H41N3O3
Molecular Weight467.65 g/mol
Exact Mass467.31
IUPAC Name5-(cyclopentanecarbonylamino)-1-N,3-N-bis(2-methylcyclohexyl)benzene-1,3-dicarboxamide
SMILESCC1CCCCC1NC(=O)c1cc(NC(=O)C2CCCC2)cc(C(=O)NC2CCCCC2C)c1
InChIInChI=1S/C28H41N3O3/c1-18-9-3-7-13-24(18)30-27(33)21-15-22(28(34)31-25-14-8-4-10-19(25)2)17-23(16-21)29-26(32)20-11-5-6-12-20/h15-20,24-25H,3-14H2,1-2H3,(H,29,32)(H,30,33)(H,31,34)
InChIKeyGGPJSBPENCKKEL-UHFFFAOYSA-N
XLogP5.43
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.65
LogP ≤ 55.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
3,5-diamino-N-(2-methylcyclohexyl)benzamide
CID 61090027
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
3-(cyclohexanecarbonylamino)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574822
3,5-difluoro-4-methoxy-N-(2-methylcyclohexyl)benzamide
CID 59356103
5-(cyclobutanecarbonylamino)benzene-1,3-dicarboxamide
CID 9466178
4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 1234533
4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 2098476
N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 24819408
4-bromo-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 1234531
3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 848103
4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 30117194

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentanecarbonylamino)-1-N,3-N-bis(2-methylcyclohexyl)benzene-1,3-dicarboxamide?
The IUPAC name of 5-(cyclopentanecarbonylamino)-1-N,3-N-bis(2-methylcyclohexyl)benzene-1,3-dicarboxamide (CID 58903264) is 5-(cyclopentanecarbonylamino)-1-N,3-N-bis(2-methylcyclohexyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-(cyclopentanecarbonylamino)-1-N,3-N-bis(2-methylcyclohexyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 5-(cyclopentanecarbonylamino)-1-N,3-N-bis(2-methylcyclohexyl)benzene-1,3-dicarboxamide is CC1CCCCC1NC(=O)c1cc(NC(=O)C2CCCC2)cc(C(=O)NC2CCCCC2C)c1.
What is the InChIKey of 5-(cyclopentanecarbonylamino)-1-N,3-N-bis(2-methylcyclohexyl)benzene-1,3-dicarboxamide?
The InChIKey is GGPJSBPENCKKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N3O3/c1-18-9-3-7-13-24(18)30-27(33)21-15-22(28(34)31-25-14-8-4-10-19(25)2)17-23(16-21)29-26(32)20-11-5-6-12-20/h15-20,24-25H,3-14H2,1-2H3,(H,29,32)(H,30,33)(H,31,34).
What are the key properties of 5-(cyclopentanecarbonylamino)-1-N,3-N-bis(2-methylcyclohexyl)benzene-1,3-dicarboxamide?
5-(cyclopentanecarbonylamino)-1-N,3-N-bis(2-methylcyclohexyl)benzene-1,3-dicarboxamide has a molecular weight of 467.65 g/mol, XLogP of 5.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentanecarbonylamino)-1-N,3-N-bis(2-methylcyclohexyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 58903264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).