N-[3-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]acetamide

C17H25N3O — CID 43752163

IUPACN-[3-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NC2CCN3CCCC23)c1
InChIInChI=1S/C17H25N3O/c1-12(14-5-3-6-15(11-14)19-13(2)21)18-16-8-10-20-9-4-7-17(16)20/h3,5-6,11-12,16-18H,4,7-10H2,1-2H3,(H,19,21)
InChIKeyLFVKAPFGXDFOTP-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.53
Rot. Bonds4

About N-[3-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]acetamide

N-[3-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]acetamide (PubChem CID 43752163) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[3-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]acetamide
PubChem CID43752163
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[3-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NC2CCN3CCCC23)c1
InChIInChI=1S/C17H25N3O/c1-12(14-5-3-6-15(11-14)19-13(2)21)18-16-8-10-20-9-4-7-17(16)20/h3,5-6,11-12,16-18H,4,7-10H2,1-2H3,(H,19,21)
InChIKeyLFVKAPFGXDFOTP-UHFFFAOYSA-N
XLogP2.53
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[3-[1-[[(1S)-1-cyclopentylethyl]amino]ethyl]phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]acetamide (CID 43752163) is N-[3-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)NC2CCN3CCCC23)c1.
What is the InChIKey of N-[3-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]acetamide?
The InChIKey is LFVKAPFGXDFOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12(14-5-3-6-15(11-14)19-13(2)21)18-16-8-10-20-9-4-7-17(16)20/h3,5-6,11-12,16-18H,4,7-10H2,1-2H3,(H,19,21).
What are the key properties of N-[3-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]acetamide?
N-[3-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]acetamide has a molecular weight of 287.41 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]acetamide is sourced from PubChem (CID 43752163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).