1-N,2-N,3-N-tris(3-methylcyclohexyl)benzene-1,2,3-tricarboxamide

C30H45N3O3 — CID 141437065

IUPAC1-N,2-N,3-N-tris(3-methylcyclohexyl)benzene-1,2,3-tricarboxamide
SMILESCC1CCCC(NC(=O)c2cccc(C(=O)NC3CCCC(C)C3)c2C(=O)NC2CCCC(C)C2)C1
InChIInChI=1S/C30H45N3O3/c1-19-8-4-11-22(16-19)31-28(34)25-14-7-15-26(29(35)32-23-12-5-9-20(2)17-23)27(25)30(36)33-24-13-6-10-21(3)18-24/h7,14-15,19-24H,4-6,8-13,16-18H2,1-3H3,(H,31,34)(H,32,35)(H,33,36)
InChIKeyDUCODZBZECKGIG-UHFFFAOYSA-N
MW495.71 g/mol
LogP5.61
Rot. Bonds6

About 1-N,2-N,3-N-tris(3-methylcyclohexyl)benzene-1,2,3-tricarboxamide

1-N,2-N,3-N-tris(3-methylcyclohexyl)benzene-1,2,3-tricarboxamide (PubChem CID 141437065) has the molecular formula C30H45N3O3 and a molecular weight of 495.71 g/mol. Its IUPAC name is 1-N,2-N,3-N-tris(3-methylcyclohexyl)benzene-1,2,3-tricarboxamide.

Molecular Properties

Compound Name1-N,2-N,3-N-tris(3-methylcyclohexyl)benzene-1,2,3-tricarboxamide
PubChem CID141437065
Molecular FormulaC30H45N3O3
Molecular Weight495.71 g/mol
Exact Mass495.35
IUPAC Name1-N,2-N,3-N-tris(3-methylcyclohexyl)benzene-1,2,3-tricarboxamide
SMILESCC1CCCC(NC(=O)c2cccc(C(=O)NC3CCCC(C)C3)c2C(=O)NC2CCCC(C)C2)C1
InChIInChI=1S/C30H45N3O3/c1-19-8-4-11-22(16-19)31-28(34)25-14-7-15-26(29(35)32-23-12-5-9-20(2)17-23)27(25)30(36)33-24-13-6-10-21(3)18-24/h7,14-15,19-24H,4-6,8-13,16-18H2,1-3H3,(H,31,34)(H,32,35)(H,33,36)
InChIKeyDUCODZBZECKGIG-UHFFFAOYSA-N
XLogP5.61
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.71
LogP ≤ 55.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[(1R,3S)-3-methylcyclohexyl]benzamide
CID 41097249
2-fluoro-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41097250
2-fluoro-6-hydroxy-N-(3-methylcyclohexyl)benzamide
CID 104916812
2-hydroxy-3-methoxy-N-(3-methylcyclohexyl)benzamide
CID 43244115
2-(ethylamino)-N-(3-methylcyclohexyl)benzamide
CID 62169337
2-(ethylamino)-3-fluoro-N-(3-methylcyclohexyl)benzamide
CID 62661165
2,4-dihydroxy-N-(3-methylcyclohexyl)benzamide
CID 103612467
N-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide
CID 66710031
2-bromo-N-(3-methylcyclohexyl)furan-3-carboxamide
CID 106852600
4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41098153
2,3-difluoro-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 105380359
2,3-difluoro-N-(4-methylcycloheptyl)benzamide
CID 102795195

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,3-N-tris(3-methylcyclohexyl)benzene-1,2,3-tricarboxamide?
The IUPAC name of 1-N,2-N,3-N-tris(3-methylcyclohexyl)benzene-1,2,3-tricarboxamide (CID 141437065) is 1-N,2-N,3-N-tris(3-methylcyclohexyl)benzene-1,2,3-tricarboxamide.
What is the SMILES notation for 1-N,2-N,3-N-tris(3-methylcyclohexyl)benzene-1,2,3-tricarboxamide?
The canonical SMILES for 1-N,2-N,3-N-tris(3-methylcyclohexyl)benzene-1,2,3-tricarboxamide is CC1CCCC(NC(=O)c2cccc(C(=O)NC3CCCC(C)C3)c2C(=O)NC2CCCC(C)C2)C1.
What is the InChIKey of 1-N,2-N,3-N-tris(3-methylcyclohexyl)benzene-1,2,3-tricarboxamide?
The InChIKey is DUCODZBZECKGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45N3O3/c1-19-8-4-11-22(16-19)31-28(34)25-14-7-15-26(29(35)32-23-12-5-9-20(2)17-23)27(25)30(36)33-24-13-6-10-21(3)18-24/h7,14-15,19-24H,4-6,8-13,16-18H2,1-3H3,(H,31,34)(H,32,35)(H,33,36).
What are the key properties of 1-N,2-N,3-N-tris(3-methylcyclohexyl)benzene-1,2,3-tricarboxamide?
1-N,2-N,3-N-tris(3-methylcyclohexyl)benzene-1,2,3-tricarboxamide has a molecular weight of 495.71 g/mol, XLogP of 5.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,3-N-tris(3-methylcyclohexyl)benzene-1,2,3-tricarboxamide is sourced from PubChem (CID 141437065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).