N-[[2-(3-methylbutoxy)phenyl]methyl]-2-morpholin-4-ylbenzamide

C23H30N2O3 — CID 60621982

IUPACN-[[2-(3-methylbutoxy)phenyl]methyl]-2-morpholin-4-ylbenzamide
SMILESCC(C)CCOc1ccccc1CNC(=O)c1ccccc1N1CCOCC1
InChIInChI=1S/C23H30N2O3/c1-18(2)11-14-28-22-10-6-3-7-19(22)17-24-23(26)20-8-4-5-9-21(20)25-12-15-27-16-13-25/h3-10,18H,11-17H2,1-2H3,(H,24,26)
InChIKeySUXDMDMWGOLABB-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.88
Rot. Bonds8

About N-[[2-(3-methylbutoxy)phenyl]methyl]-2-morpholin-4-ylbenzamide

N-[[2-(3-methylbutoxy)phenyl]methyl]-2-morpholin-4-ylbenzamide (PubChem CID 60621982) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[[2-(3-methylbutoxy)phenyl]methyl]-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[[2-(3-methylbutoxy)phenyl]methyl]-2-morpholin-4-ylbenzamide
PubChem CID60621982
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[[2-(3-methylbutoxy)phenyl]methyl]-2-morpholin-4-ylbenzamide
SMILESCC(C)CCOc1ccccc1CNC(=O)c1ccccc1N1CCOCC1
InChIInChI=1S/C23H30N2O3/c1-18(2)11-14-28-22-10-6-3-7-19(22)17-24-23(26)20-8-4-5-9-21(20)25-12-15-27-16-13-25/h3-10,18H,11-17H2,1-2H3,(H,24,26)
InChIKeySUXDMDMWGOLABB-UHFFFAOYSA-N
XLogP3.88
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-4-ylbenzamide
CID 131925589
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
N-[[2-(3-methylbutoxy)phenyl]methyl]-2-propan-2-ylsulfonylbenzamide
CID 60622145
2-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide;dihydrochloride
CID 119946846
N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide
CID 120827445
(2S)-2-amino-4-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pentanamide
CID 119865271
N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide;dihydrochloride
CID 120827444
N-[[2-(3-methylbutoxy)phenyl]methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 60622044
methyl 2-[2-[(2-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]benzoate
CID 75440397
N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2-morpholin-4-ylbenzamide
CID 86286995
3-hydroxy-N-[[2-(3-methylbutoxy)phenyl]methyl]piperidine-1-carboxamide
CID 110922264
2-morpholin-4-yl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]benzamide
CID 86285259

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylbutoxy)phenyl]methyl]-2-morpholin-4-ylbenzamide?
The IUPAC name of N-[[2-(3-methylbutoxy)phenyl]methyl]-2-morpholin-4-ylbenzamide (CID 60621982) is N-[[2-(3-methylbutoxy)phenyl]methyl]-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[[2-(3-methylbutoxy)phenyl]methyl]-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-[[2-(3-methylbutoxy)phenyl]methyl]-2-morpholin-4-ylbenzamide is CC(C)CCOc1ccccc1CNC(=O)c1ccccc1N1CCOCC1.
What is the InChIKey of N-[[2-(3-methylbutoxy)phenyl]methyl]-2-morpholin-4-ylbenzamide?
The InChIKey is SUXDMDMWGOLABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-18(2)11-14-28-22-10-6-3-7-19(22)17-24-23(26)20-8-4-5-9-21(20)25-12-15-27-16-13-25/h3-10,18H,11-17H2,1-2H3,(H,24,26).
What are the key properties of N-[[2-(3-methylbutoxy)phenyl]methyl]-2-morpholin-4-ylbenzamide?
N-[[2-(3-methylbutoxy)phenyl]methyl]-2-morpholin-4-ylbenzamide has a molecular weight of 382.50 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylbutoxy)phenyl]methyl]-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 60621982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).