2,6-dimethyl-N-[[7-(2-morpholin-4-ylethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]benzamide

C28H37N3O2 — CID 46862975

IUPAC2,6-dimethyl-N-[[7-(2-morpholin-4-ylethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]benzamide
SMILESCc1cccc(C)c1C(=O)NC(c1ccccc1)C12CCC(CC1)N2CCN1CCOCC1
InChIInChI=1S/C28H37N3O2/c1-21-7-6-8-22(2)25(21)27(32)29-26(23-9-4-3-5-10-23)28-13-11-24(12-14-28)31(28)16-15-30-17-19-33-20-18-30/h3-10,24,26H,11-20H2,1-2H3,(H,29,32)
InChIKeyOXKBWQLECXABRF-UHFFFAOYSA-N
MW447.62 g/mol
LogP4.10
Rot. Bonds7

About 2,6-dimethyl-N-[[7-(2-morpholin-4-ylethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]benzamide

2,6-dimethyl-N-[[7-(2-morpholin-4-ylethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]benzamide (PubChem CID 46862975) has the molecular formula C28H37N3O2 and a molecular weight of 447.62 g/mol. Its IUPAC name is 2,6-dimethyl-N-[[7-(2-morpholin-4-ylethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]benzamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[[7-(2-morpholin-4-ylethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]benzamide
PubChem CID46862975
Molecular FormulaC28H37N3O2
Molecular Weight447.62 g/mol
Exact Mass447.29
IUPAC Name2,6-dimethyl-N-[[7-(2-morpholin-4-ylethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]benzamide
SMILESCc1cccc(C)c1C(=O)NC(c1ccccc1)C12CCC(CC1)N2CCN1CCOCC1
InChIInChI=1S/C28H37N3O2/c1-21-7-6-8-22(2)25(21)27(32)29-26(23-9-4-3-5-10-23)28-13-11-24(12-14-28)31(28)16-15-30-17-19-33-20-18-30/h3-10,24,26H,11-20H2,1-2H3,(H,29,32)
InChIKeyOXKBWQLECXABRF-UHFFFAOYSA-N
XLogP4.10
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.62
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,6-dimethyl-N-[[7-(2-morpholin-4-ylethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]benzamide with MolForge

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Related Compounds

N-[(R)-[7-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]-2,6-dimethylbenzamide
CID 67472530
N-[(R)-(7-cyclopropyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide
CID 67472519
N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]benzamide
CID 100963826
N-[[7-(cyclobutylmethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]pyridine-4-carboxamide
CID 46862454
2-amino-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 16793479
2-methoxy-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 131898398
N-[2-(methylamino)-2-oxo-1-phenylethyl]-3-morpholin-4-ylpropanamide
CID 91764597
3-methyl-N-[(1R)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]butanamide
CID 95140732
3-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]butanamide
CID 95140730
4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 113105903
2-amino-N-(2-morpholin-4-ylethyl)-2-phenylacetamide;dihydrochloride
CID 119827759
2-N-(2-morpholin-4-ylethyl)-6-N-(1-phenylethyl)pyridine-2,6-dicarboxamide
CID 109096436

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[[7-(2-morpholin-4-ylethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]benzamide?
The IUPAC name of 2,6-dimethyl-N-[[7-(2-morpholin-4-ylethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]benzamide (CID 46862975) is 2,6-dimethyl-N-[[7-(2-morpholin-4-ylethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]benzamide.
What is the SMILES notation for 2,6-dimethyl-N-[[7-(2-morpholin-4-ylethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]benzamide?
The canonical SMILES for 2,6-dimethyl-N-[[7-(2-morpholin-4-ylethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]benzamide is Cc1cccc(C)c1C(=O)NC(c1ccccc1)C12CCC(CC1)N2CCN1CCOCC1.
What is the InChIKey of 2,6-dimethyl-N-[[7-(2-morpholin-4-ylethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]benzamide?
The InChIKey is OXKBWQLECXABRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O2/c1-21-7-6-8-22(2)25(21)27(32)29-26(23-9-4-3-5-10-23)28-13-11-24(12-14-28)31(28)16-15-30-17-19-33-20-18-30/h3-10,24,26H,11-20H2,1-2H3,(H,29,32).
What are the key properties of 2,6-dimethyl-N-[[7-(2-morpholin-4-ylethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]benzamide?
2,6-dimethyl-N-[[7-(2-morpholin-4-ylethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]benzamide has a molecular weight of 447.62 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[[7-(2-morpholin-4-ylethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]benzamide is sourced from PubChem (CID 46862975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).