N-[2-[benzoyl-(1-cyanocyclohexyl)amino]ethyl]-N-(1-cyanocyclohexyl)benzamide

C30H34N4O2 — CID 134110597

IUPACN-[2-[benzoyl-(1-cyanocyclohexyl)amino]ethyl]-N-(1-cyanocyclohexyl)benzamide
SMILESN#CC1(N(CCN(C(=O)c2ccccc2)C2(C#N)CCCCC2)C(=O)c2ccccc2)CCCCC1
InChIInChI=1S/C30H34N4O2/c31-23-29(17-9-3-10-18-29)33(27(35)25-13-5-1-6-14-25)21-22-34(28(36)26-15-7-2-8-16-26)30(24-32)19-11-4-12-20-30/h1-2,5-8,13-16H,3-4,9-12,17-22H2
InChIKeyHJHYTZSBRUPEIL-UHFFFAOYSA-N
MW482.63 g/mol
LogP5.72
Rot. Bonds7

About N-[2-[benzoyl-(1-cyanocyclohexyl)amino]ethyl]-N-(1-cyanocyclohexyl)benzamide

N-[2-[benzoyl-(1-cyanocyclohexyl)amino]ethyl]-N-(1-cyanocyclohexyl)benzamide (PubChem CID 134110597) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is N-[2-[benzoyl-(1-cyanocyclohexyl)amino]ethyl]-N-(1-cyanocyclohexyl)benzamide.

Molecular Properties

Compound NameN-[2-[benzoyl-(1-cyanocyclohexyl)amino]ethyl]-N-(1-cyanocyclohexyl)benzamide
PubChem CID134110597
Molecular FormulaC30H34N4O2
Molecular Weight482.63 g/mol
Exact Mass482.27
IUPAC NameN-[2-[benzoyl-(1-cyanocyclohexyl)amino]ethyl]-N-(1-cyanocyclohexyl)benzamide
SMILESN#CC1(N(CCN(C(=O)c2ccccc2)C2(C#N)CCCCC2)C(=O)c2ccccc2)CCCCC1
InChIInChI=1S/C30H34N4O2/c31-23-29(17-9-3-10-18-29)33(27(35)25-13-5-1-6-14-25)21-22-34(28(36)26-15-7-2-8-16-26)30(24-32)19-11-4-12-20-30/h1-2,5-8,13-16H,3-4,9-12,17-22H2
InChIKeyHJHYTZSBRUPEIL-UHFFFAOYSA-N
XLogP5.72
TPSA88.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[benzoyl-(1-cyanocyclohexyl)amino]ethyl]-N-(1-cyanocyclohexyl)benzamide?
The IUPAC name of N-[2-[benzoyl-(1-cyanocyclohexyl)amino]ethyl]-N-(1-cyanocyclohexyl)benzamide (CID 134110597) is N-[2-[benzoyl-(1-cyanocyclohexyl)amino]ethyl]-N-(1-cyanocyclohexyl)benzamide.
What is the SMILES notation for N-[2-[benzoyl-(1-cyanocyclohexyl)amino]ethyl]-N-(1-cyanocyclohexyl)benzamide?
The canonical SMILES for N-[2-[benzoyl-(1-cyanocyclohexyl)amino]ethyl]-N-(1-cyanocyclohexyl)benzamide is N#CC1(N(CCN(C(=O)c2ccccc2)C2(C#N)CCCCC2)C(=O)c2ccccc2)CCCCC1.
What is the InChIKey of N-[2-[benzoyl-(1-cyanocyclohexyl)amino]ethyl]-N-(1-cyanocyclohexyl)benzamide?
The InChIKey is HJHYTZSBRUPEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2/c31-23-29(17-9-3-10-18-29)33(27(35)25-13-5-1-6-14-25)21-22-34(28(36)26-15-7-2-8-16-26)30(24-32)19-11-4-12-20-30/h1-2,5-8,13-16H,3-4,9-12,17-22H2.
What are the key properties of N-[2-[benzoyl-(1-cyanocyclohexyl)amino]ethyl]-N-(1-cyanocyclohexyl)benzamide?
N-[2-[benzoyl-(1-cyanocyclohexyl)amino]ethyl]-N-(1-cyanocyclohexyl)benzamide has a molecular weight of 482.63 g/mol, XLogP of 5.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzoyl-(1-cyanocyclohexyl)amino]ethyl]-N-(1-cyanocyclohexyl)benzamide is sourced from PubChem (CID 134110597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).