N-(1-adamantylmethyl)-4-(diethylaminomethyl)-N-methylbenzamide

C24H36N2O — CID 55649596

IUPACN-(1-adamantylmethyl)-4-(diethylaminomethyl)-N-methylbenzamide
SMILESCCN(CC)Cc1ccc(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C24H36N2O/c1-4-26(5-2)16-18-6-8-22(9-7-18)23(27)25(3)17-24-13-19-10-20(14-24)12-21(11-19)15-24/h6-9,19-21H,4-5,10-17H2,1-3H3
InChIKeyRLYHQAYJLFNBHH-UHFFFAOYSA-N
MW368.57 g/mol
LogP4.82
Rot. Bonds7

About N-(1-adamantylmethyl)-4-(diethylaminomethyl)-N-methylbenzamide

N-(1-adamantylmethyl)-4-(diethylaminomethyl)-N-methylbenzamide (PubChem CID 55649596) has the molecular formula C24H36N2O and a molecular weight of 368.57 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-4-(diethylaminomethyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-4-(diethylaminomethyl)-N-methylbenzamide
PubChem CID55649596
Molecular FormulaC24H36N2O
Molecular Weight368.57 g/mol
Exact Mass368.28
IUPAC NameN-(1-adamantylmethyl)-4-(diethylaminomethyl)-N-methylbenzamide
SMILESCCN(CC)Cc1ccc(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C24H36N2O/c1-4-26(5-2)16-18-6-8-22(9-7-18)23(27)25(3)17-24-13-19-10-20(14-24)12-21(11-19)15-24/h6-9,19-21H,4-5,10-17H2,1-3H3
InChIKeyRLYHQAYJLFNBHH-UHFFFAOYSA-N
XLogP4.82
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-4-(diethylaminomethyl)-N-methylbenzamide?
The IUPAC name of N-(1-adamantylmethyl)-4-(diethylaminomethyl)-N-methylbenzamide (CID 55649596) is N-(1-adamantylmethyl)-4-(diethylaminomethyl)-N-methylbenzamide.
What is the SMILES notation for N-(1-adamantylmethyl)-4-(diethylaminomethyl)-N-methylbenzamide?
The canonical SMILES for N-(1-adamantylmethyl)-4-(diethylaminomethyl)-N-methylbenzamide is CCN(CC)Cc1ccc(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-(1-adamantylmethyl)-4-(diethylaminomethyl)-N-methylbenzamide?
The InChIKey is RLYHQAYJLFNBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O/c1-4-26(5-2)16-18-6-8-22(9-7-18)23(27)25(3)17-24-13-19-10-20(14-24)12-21(11-19)15-24/h6-9,19-21H,4-5,10-17H2,1-3H3.
What are the key properties of N-(1-adamantylmethyl)-4-(diethylaminomethyl)-N-methylbenzamide?
N-(1-adamantylmethyl)-4-(diethylaminomethyl)-N-methylbenzamide has a molecular weight of 368.57 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-4-(diethylaminomethyl)-N-methylbenzamide is sourced from PubChem (CID 55649596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).