4-tert-butyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide

C23H30N2O2 — CID 9481155

IUPAC4-tert-butyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1
InChIInChI=1S/C23H30N2O2/c1-23(2,3)21-10-8-18(9-11-21)22(26)24-16-19-6-4-5-7-20(19)17-25-12-14-27-15-13-25/h4-11H,12-17H2,1-3H3,(H,24,26)
InChIKeyHNGMREOSFHUSGX-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.75
Rot. Bonds5

About 4-tert-butyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide

4-tert-butyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide (PubChem CID 9481155) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 4-tert-butyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
PubChem CID9481155
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name4-tert-butyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1
InChIInChI=1S/C23H30N2O2/c1-23(2,3)21-10-8-18(9-11-21)22(26)24-16-19-6-4-5-7-20(19)17-25-12-14-27-15-13-25/h4-11H,12-17H2,1-3H3,(H,24,26)
InChIKeyHNGMREOSFHUSGX-UHFFFAOYSA-N
XLogP3.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-phenylbenzamide
CID 31961123
N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 9481147
3-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 9481167
3-amino-2,2-dimethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 119834747
4-chloro-N-[3-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 9481353
4-ethoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 9481299
2,2-dimethyl-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]propanamide
CID 31444039
3-ethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 55882954
2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 27887322
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 43346970
4-butoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55396567

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide (CID 9481155) is 4-tert-butyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide is CC(C)(C)c1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is HNGMREOSFHUSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-23(2,3)21-10-8-18(9-11-21)22(26)24-16-19-6-4-5-7-20(19)17-25-12-14-27-15-13-25/h4-11H,12-17H2,1-3H3,(H,24,26).
What are the key properties of 4-tert-butyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
4-tert-butyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 366.51 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 9481155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).