4-(1-adamantylcarbamoylamino)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide

C23H34N4O2 — CID 24945764

IUPAC4-(1-adamantylcarbamoylamino)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H34N4O2/c1-26(2)8-9-27(3)21(28)19-4-6-20(7-5-19)24-22(29)25-23-13-16-10-17(14-23)12-18(11-16)15-23/h4-7,16-18H,8-15H2,1-3H3,(H2,24,25,29)
InChIKeyJCRWEWPOLYMDKF-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.41
Rot. Bonds6

About 4-(1-adamantylcarbamoylamino)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide

4-(1-adamantylcarbamoylamino)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide (PubChem CID 24945764) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 4-(1-adamantylcarbamoylamino)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(1-adamantylcarbamoylamino)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
PubChem CID24945764
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name4-(1-adamantylcarbamoylamino)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H34N4O2/c1-26(2)8-9-27(3)21(28)19-4-6-20(7-5-19)24-22(29)25-23-13-16-10-17(14-23)12-18(11-16)15-23/h4-7,16-18H,8-15H2,1-3H3,(H2,24,25,29)
InChIKeyJCRWEWPOLYMDKF-UHFFFAOYSA-N
XLogP3.41
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantylcarbamoylamino)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
The IUPAC name of 4-(1-adamantylcarbamoylamino)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide (CID 24945764) is 4-(1-adamantylcarbamoylamino)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide.
What is the SMILES notation for 4-(1-adamantylcarbamoylamino)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
The canonical SMILES for 4-(1-adamantylcarbamoylamino)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide is CN(C)CCN(C)C(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 4-(1-adamantylcarbamoylamino)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
The InChIKey is JCRWEWPOLYMDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-26(2)8-9-27(3)21(28)19-4-6-20(7-5-19)24-22(29)25-23-13-16-10-17(14-23)12-18(11-16)15-23/h4-7,16-18H,8-15H2,1-3H3,(H2,24,25,29).
What are the key properties of 4-(1-adamantylcarbamoylamino)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
4-(1-adamantylcarbamoylamino)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide has a molecular weight of 398.55 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantylcarbamoylamino)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide is sourced from PubChem (CID 24945764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).