3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]benzo[g][1]benzofuran-2-carboxamide

C25H24N2O3 — CID 112797995

IUPAC3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]benzo[g][1]benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(CN3CCOCC3)cc2)oc2c1ccc1ccccc12
InChIInChI=1S/C25H24N2O3/c1-17-21-11-8-19-4-2-3-5-22(19)24(21)30-23(17)25(28)26-20-9-6-18(7-10-20)16-27-12-14-29-15-13-27/h2-11H,12-16H2,1H3,(H,26,28)
InChIKeyNZXLLCPRUXMNKW-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.98
Rot. Bonds4

About 3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]benzo[g][1]benzofuran-2-carboxamide

3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]benzo[g][1]benzofuran-2-carboxamide (PubChem CID 112797995) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]benzo[g][1]benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]benzo[g][1]benzofuran-2-carboxamide
PubChem CID112797995
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]benzo[g][1]benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(CN3CCOCC3)cc2)oc2c1ccc1ccccc12
InChIInChI=1S/C25H24N2O3/c1-17-21-11-8-19-4-2-3-5-22(19)24(21)30-23(17)25(28)26-20-9-6-18(7-10-20)16-27-12-14-29-15-13-27/h2-11H,12-16H2,1H3,(H,26,28)
InChIKeyNZXLLCPRUXMNKW-UHFFFAOYSA-N
XLogP4.98
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7733139
N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-1-carboxamide
CID 851463
3-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzo[g][1]benzofuran-2-carboxamide
CID 166195270
N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 979219
4-methyl-N-[4-(1,4-oxazepan-4-ylmethyl)phenyl]benzamide
CID 166858230
3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide
CID 86978782
N-(2,3-dimethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7946958
3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)benzo[g][1]benzofuran-2-carboxamide
CID 167953016
N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306
N-(3-chloro-2,6-diethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7920539
N-(2,5-dichlorophenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7899905
N-[3-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 30831158

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]benzo[g][1]benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]benzo[g][1]benzofuran-2-carboxamide (CID 112797995) is 3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]benzo[g][1]benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]benzo[g][1]benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]benzo[g][1]benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc(CN3CCOCC3)cc2)oc2c1ccc1ccccc12.
What is the InChIKey of 3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]benzo[g][1]benzofuran-2-carboxamide?
The InChIKey is NZXLLCPRUXMNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-17-21-11-8-19-4-2-3-5-22(19)24(21)30-23(17)25(28)26-20-9-6-18(7-10-20)16-27-12-14-29-15-13-27/h2-11H,12-16H2,1H3,(H,26,28).
What are the key properties of 3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]benzo[g][1]benzofuran-2-carboxamide?
3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]benzo[g][1]benzofuran-2-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]benzo[g][1]benzofuran-2-carboxamide is sourced from PubChem (CID 112797995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).