N-(1-adamantylmethyl)-4-(morpholin-4-ylmethyl)benzamide

C23H32N2O2 — CID 9047114

IUPACN-(1-adamantylmethyl)-4-(morpholin-4-ylmethyl)benzamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C23H32N2O2/c26-22(21-3-1-17(2-4-21)15-25-5-7-27-8-6-25)24-16-23-12-18-9-19(13-23)11-20(10-18)14-23/h1-4,18-20H,5-16H2,(H,24,26)
InChIKeyGGAMFAGIETXBQK-UHFFFAOYSA-N
MW368.52 g/mol
LogP3.46
Rot. Bonds5

About N-(1-adamantylmethyl)-4-(morpholin-4-ylmethyl)benzamide

N-(1-adamantylmethyl)-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 9047114) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-4-(morpholin-4-ylmethyl)benzamide
PubChem CID9047114
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC NameN-(1-adamantylmethyl)-4-(morpholin-4-ylmethyl)benzamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C23H32N2O2/c26-22(21-3-1-17(2-4-21)15-25-5-7-27-8-6-25)24-16-23-12-18-9-19(13-23)11-20(10-18)14-23/h1-4,18-20H,5-16H2,(H,24,26)
InChIKeyGGAMFAGIETXBQK-UHFFFAOYSA-N
XLogP3.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide
CID 2864244
N-(2-aminoethyl)-4-(morpholin-4-ylmethyl)benzamide
CID 84614014
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
N-(1-adamantylmethyl)-2-morpholin-4-ylacetamide
CID 2858736
N-(1-adamantylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26202942
N-(1-adamantylmethyl)-2-chloro-5-(1-oxa-6-azaspiro[2.5]octan-6-ylmethyl)benzamide
CID 18381510
N-(1-adamantyl)-4-(piperidin-1-ylmethyl)benzamide
CID 41455586
N-(1-adamantylmethyl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 8902332
N-(1-adamantylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3972874
N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide
CID 133244954
N-(1-adamantylmethyl)-4-(azepan-1-ylsulfonyl)benzamide
CID 7921319
N-[4-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-4-oxobutyl]adamantane-1-carboxamide
CID 31446028

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-4-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-(1-adamantylmethyl)-4-(morpholin-4-ylmethyl)benzamide (CID 9047114) is N-(1-adamantylmethyl)-4-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-(1-adamantylmethyl)-4-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-(1-adamantylmethyl)-4-(morpholin-4-ylmethyl)benzamide is O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of N-(1-adamantylmethyl)-4-(morpholin-4-ylmethyl)benzamide?
The InChIKey is GGAMFAGIETXBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c26-22(21-3-1-17(2-4-21)15-25-5-7-27-8-6-25)24-16-23-12-18-9-19(13-23)11-20(10-18)14-23/h1-4,18-20H,5-16H2,(H,24,26).
What are the key properties of N-(1-adamantylmethyl)-4-(morpholin-4-ylmethyl)benzamide?
N-(1-adamantylmethyl)-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 368.52 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 9047114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).