N-[(3-benzyl-3-azabicyclo[4.1.0]heptan-1-yl)methyl]-N-phenylpropanamide

C23H28N2O — CID 23449356

IUPACN-[(3-benzyl-3-azabicyclo[4.1.0]heptan-1-yl)methyl]-N-phenylpropanamide
SMILESCCC(=O)N(CC12CC1CCN(Cc1ccccc1)C2)c1ccccc1
InChIInChI=1S/C23H28N2O/c1-2-22(26)25(21-11-7-4-8-12-21)18-23-15-20(23)13-14-24(17-23)16-19-9-5-3-6-10-19/h3-12,20H,2,13-18H2,1H3
InChIKeyQLXHRUXSTPPJMP-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.34
Rot. Bonds6

About N-[(3-benzyl-3-azabicyclo[4.1.0]heptan-1-yl)methyl]-N-phenylpropanamide

N-[(3-benzyl-3-azabicyclo[4.1.0]heptan-1-yl)methyl]-N-phenylpropanamide (PubChem CID 23449356) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[(3-benzyl-3-azabicyclo[4.1.0]heptan-1-yl)methyl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[(3-benzyl-3-azabicyclo[4.1.0]heptan-1-yl)methyl]-N-phenylpropanamide
PubChem CID23449356
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC NameN-[(3-benzyl-3-azabicyclo[4.1.0]heptan-1-yl)methyl]-N-phenylpropanamide
SMILESCCC(=O)N(CC12CC1CCN(Cc1ccccc1)C2)c1ccccc1
InChIInChI=1S/C23H28N2O/c1-2-22(26)25(21-11-7-4-8-12-21)18-23-15-20(23)13-14-24(17-23)16-19-9-5-3-6-10-19/h3-12,20H,2,13-18H2,1H3
InChIKeyQLXHRUXSTPPJMP-UHFFFAOYSA-N
XLogP4.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-acetyl-5-(2-phenylethyl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-3a-yl]methyl]-N-phenylpropanamide
CID 12043919
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-phenylpropanamide
CID 126539472
3-benzyl-3-azabicyclo[4.1.0]heptane-1-carbaldehyde;(3-benzyl-3-azabicyclo[4.1.0]heptan-1-yl)methanol;methane
CID 158201630
N-[[2-benzyl-5-(2-phenylethyl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-3a-yl]methyl]-2-fluoroaniline;N-[[2-benzyl-5-(2-phenylethyl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-3a-yl]methyl]-N-(2-fluorophenyl)propanamide
CID 159276134
N-[[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide
CID 137371237
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
ethyl 5-benzyl-5-azaspiro[2.5]octane-8-carboxylate
CID 135289880
[(2R,3aS,7aR)-5-benzyl-2-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methanol
CID 125458660
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
N-(1-benzylpiperidin-4-yl)-N-(4-cyclohexylphenyl)propanamide
CID 90316604
3-benzyl-3-azabicyclo[4.1.0]heptan-1-amine
CID 82658680
N-phenyl-N-[[1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]cyclopropyl]methyl]propanamide
CID 137371248

Frequently Asked Questions

What is the IUPAC name of N-[(3-benzyl-3-azabicyclo[4.1.0]heptan-1-yl)methyl]-N-phenylpropanamide?
The IUPAC name of N-[(3-benzyl-3-azabicyclo[4.1.0]heptan-1-yl)methyl]-N-phenylpropanamide (CID 23449356) is N-[(3-benzyl-3-azabicyclo[4.1.0]heptan-1-yl)methyl]-N-phenylpropanamide.
What is the SMILES notation for N-[(3-benzyl-3-azabicyclo[4.1.0]heptan-1-yl)methyl]-N-phenylpropanamide?
The canonical SMILES for N-[(3-benzyl-3-azabicyclo[4.1.0]heptan-1-yl)methyl]-N-phenylpropanamide is CCC(=O)N(CC12CC1CCN(Cc1ccccc1)C2)c1ccccc1.
What is the InChIKey of N-[(3-benzyl-3-azabicyclo[4.1.0]heptan-1-yl)methyl]-N-phenylpropanamide?
The InChIKey is QLXHRUXSTPPJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-2-22(26)25(21-11-7-4-8-12-21)18-23-15-20(23)13-14-24(17-23)16-19-9-5-3-6-10-19/h3-12,20H,2,13-18H2,1H3.
What are the key properties of N-[(3-benzyl-3-azabicyclo[4.1.0]heptan-1-yl)methyl]-N-phenylpropanamide?
N-[(3-benzyl-3-azabicyclo[4.1.0]heptan-1-yl)methyl]-N-phenylpropanamide has a molecular weight of 348.49 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-benzyl-3-azabicyclo[4.1.0]heptan-1-yl)methyl]-N-phenylpropanamide is sourced from PubChem (CID 23449356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).