4-(2-adamantylcarbamoylamino)-N-cyclohexylbenzamide

C24H33N3O2 — CID 164622515

IUPAC4-(2-adamantylcarbamoylamino)-N-cyclohexylbenzamide
SMILESO=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C24H33N3O2/c28-23(25-20-4-2-1-3-5-20)17-6-8-21(9-7-17)26-24(29)27-22-18-11-15-10-16(13-18)14-19(22)12-15/h6-9,15-16,18-20,22H,1-5,10-14H2,(H,25,28)(H2,26,27,29)
InChIKeyQIHGJLQGORBILD-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.70
Rot. Bonds4

About 4-(2-adamantylcarbamoylamino)-N-cyclohexylbenzamide

4-(2-adamantylcarbamoylamino)-N-cyclohexylbenzamide (PubChem CID 164622515) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 4-(2-adamantylcarbamoylamino)-N-cyclohexylbenzamide.

Molecular Properties

Compound Name4-(2-adamantylcarbamoylamino)-N-cyclohexylbenzamide
PubChem CID164622515
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name4-(2-adamantylcarbamoylamino)-N-cyclohexylbenzamide
SMILESO=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C24H33N3O2/c28-23(25-20-4-2-1-3-5-20)17-6-8-21(9-7-17)26-24(29)27-22-18-11-15-10-16(13-18)14-19(22)12-15/h6-9,15-16,18-20,22H,1-5,10-14H2,(H,25,28)(H2,26,27,29)
InChIKeyQIHGJLQGORBILD-UHFFFAOYSA-N
XLogP4.70
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-adamantylcarbamoylamino)-N-cyclohexylbenzamide?
The IUPAC name of 4-(2-adamantylcarbamoylamino)-N-cyclohexylbenzamide (CID 164622515) is 4-(2-adamantylcarbamoylamino)-N-cyclohexylbenzamide.
What is the SMILES notation for 4-(2-adamantylcarbamoylamino)-N-cyclohexylbenzamide?
The canonical SMILES for 4-(2-adamantylcarbamoylamino)-N-cyclohexylbenzamide is O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 4-(2-adamantylcarbamoylamino)-N-cyclohexylbenzamide?
The InChIKey is QIHGJLQGORBILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c28-23(25-20-4-2-1-3-5-20)17-6-8-21(9-7-17)26-24(29)27-22-18-11-15-10-16(13-18)14-19(22)12-15/h6-9,15-16,18-20,22H,1-5,10-14H2,(H,25,28)(H2,26,27,29).
What are the key properties of 4-(2-adamantylcarbamoylamino)-N-cyclohexylbenzamide?
4-(2-adamantylcarbamoylamino)-N-cyclohexylbenzamide has a molecular weight of 395.55 g/mol, XLogP of 4.70, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-adamantylcarbamoylamino)-N-cyclohexylbenzamide is sourced from PubChem (CID 164622515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).