N-[2-[1-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]butyl]propanamide

C23H32N2O2 — CID 166718073

IUPACN-[2-[1-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]butyl]propanamide
SMILESCCC(=O)NCC(CC)C(=O)N1CC2CC2(c2ccc(C3(C)CC3)cc2)C1
InChIInChI=1S/C23H32N2O2/c1-4-16(13-24-20(26)5-2)21(27)25-14-19-12-23(19,15-25)18-8-6-17(7-9-18)22(3)10-11-22/h6-9,16,19H,4-5,10-15H2,1-3H3,(H,24,26)
InChIKeyHXCCJBPENHVNSJ-UHFFFAOYSA-N
MW368.52 g/mol
LogP3.39
Rot. Bonds7

About N-[2-[1-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]butyl]propanamide

N-[2-[1-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]butyl]propanamide (PubChem CID 166718073) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is N-[2-[1-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]butyl]propanamide.

Molecular Properties

Compound NameN-[2-[1-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]butyl]propanamide
PubChem CID166718073
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC NameN-[2-[1-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]butyl]propanamide
SMILESCCC(=O)NCC(CC)C(=O)N1CC2CC2(c2ccc(C3(C)CC3)cc2)C1
InChIInChI=1S/C23H32N2O2/c1-4-16(13-24-20(26)5-2)21(27)25-14-19-12-23(19,15-25)18-8-6-17(7-9-18)22(3)10-11-22/h6-9,16,19H,4-5,10-15H2,1-3H3,(H,24,26)
InChIKeyHXCCJBPENHVNSJ-UHFFFAOYSA-N
XLogP3.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]butyl]propanamide?
The IUPAC name of N-[2-[1-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]butyl]propanamide (CID 166718073) is N-[2-[1-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]butyl]propanamide.
What is the SMILES notation for N-[2-[1-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]butyl]propanamide?
The canonical SMILES for N-[2-[1-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]butyl]propanamide is CCC(=O)NCC(CC)C(=O)N1CC2CC2(c2ccc(C3(C)CC3)cc2)C1.
What is the InChIKey of N-[2-[1-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]butyl]propanamide?
The InChIKey is HXCCJBPENHVNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-4-16(13-24-20(26)5-2)21(27)25-14-19-12-23(19,15-25)18-8-6-17(7-9-18)22(3)10-11-22/h6-9,16,19H,4-5,10-15H2,1-3H3,(H,24,26).
What are the key properties of N-[2-[1-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]butyl]propanamide?
N-[2-[1-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]butyl]propanamide has a molecular weight of 368.52 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]butyl]propanamide is sourced from PubChem (CID 166718073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).