N-[4-(1-adamantyl)phenyl]-3-(morpholin-4-ylmethyl)benzamide

C28H34N2O2 — CID 38016726

IUPACN-[4-(1-adamantyl)phenyl]-3-(morpholin-4-ylmethyl)benzamide
SMILESO=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C28H34N2O2/c31-27(24-3-1-2-20(15-24)19-30-8-10-32-11-9-30)29-26-6-4-25(5-7-26)28-16-21-12-22(17-28)14-23(13-21)18-28/h1-7,15,21-23H,8-14,16-19H2,(H,29,31)
InChIKeyZFGLLWSYIXCFDP-UHFFFAOYSA-N
MW430.59 g/mol
LogP5.24
Rot. Bonds5

About N-[4-(1-adamantyl)phenyl]-3-(morpholin-4-ylmethyl)benzamide

N-[4-(1-adamantyl)phenyl]-3-(morpholin-4-ylmethyl)benzamide (PubChem CID 38016726) has the molecular formula C28H34N2O2 and a molecular weight of 430.59 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-3-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]-3-(morpholin-4-ylmethyl)benzamide
PubChem CID38016726
Molecular FormulaC28H34N2O2
Molecular Weight430.59 g/mol
Exact Mass430.26
IUPAC NameN-[4-(1-adamantyl)phenyl]-3-(morpholin-4-ylmethyl)benzamide
SMILESO=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C28H34N2O2/c31-27(24-3-1-2-20(15-24)19-30-8-10-32-11-9-30)29-26-6-4-25(5-7-26)28-16-21-12-22(17-28)14-23(13-21)18-28/h1-7,15,21-23H,8-14,16-19H2,(H,29,31)
InChIKeyZFGLLWSYIXCFDP-UHFFFAOYSA-N
XLogP5.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.59
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 46769268
N-[4-(1-adamantyl)phenyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 38106623
3-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 28631315
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(morpholin-4-ylmethyl)benzamide
CID 28579825
butyl 4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
CID 46764701
N-[4-(1-adamantyl)phenyl]-3-(methanesulfonamido)benzamide
CID 41448880
3-[(E)-4-[4-(1-adamantyl)phenoxy]-2-oxobut-3-enyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 162182204
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
N-[3-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 78804636
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(morpholin-4-ylmethyl)benzamide
CID 92646826
3-[4-[[4-(1-adamantyl)phenyl]carbamoyl]anilino]benzoic acid
CID 155133864
1-[4-(1-adamantyl)phenyl]-3-(2-morpholin-4-ylethyl)thiourea
CID 8659923

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-3-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-[4-(1-adamantyl)phenyl]-3-(morpholin-4-ylmethyl)benzamide (CID 38016726) is N-[4-(1-adamantyl)phenyl]-3-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-3-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]-3-(morpholin-4-ylmethyl)benzamide is O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cccc(CN2CCOCC2)c1.
What is the InChIKey of N-[4-(1-adamantyl)phenyl]-3-(morpholin-4-ylmethyl)benzamide?
The InChIKey is ZFGLLWSYIXCFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O2/c31-27(24-3-1-2-20(15-24)19-30-8-10-32-11-9-30)29-26-6-4-25(5-7-26)28-16-21-12-22(17-28)14-23(13-21)18-28/h1-7,15,21-23H,8-14,16-19H2,(H,29,31).
What are the key properties of N-[4-(1-adamantyl)phenyl]-3-(morpholin-4-ylmethyl)benzamide?
N-[4-(1-adamantyl)phenyl]-3-(morpholin-4-ylmethyl)benzamide has a molecular weight of 430.59 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)phenyl]-3-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 38016726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).