N-benzyl-2-phenoxy-N-pyridin-2-ylbutanamide

C22H22N2O2 — CID 2948029

IUPACN-benzyl-2-phenoxy-N-pyridin-2-ylbutanamide
SMILESCCC(Oc1ccccc1)C(=O)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C22H22N2O2/c1-2-20(26-19-13-7-4-8-14-19)22(25)24(21-15-9-10-16-23-21)17-18-11-5-3-6-12-18/h3-16,20H,2,17H2,1H3
InChIKeyLBEAVPKMIUYSRK-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.47
Rot. Bonds7

About N-benzyl-2-phenoxy-N-pyridin-2-ylbutanamide

N-benzyl-2-phenoxy-N-pyridin-2-ylbutanamide (PubChem CID 2948029) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-benzyl-2-phenoxy-N-pyridin-2-ylbutanamide.

Molecular Properties

Compound NameN-benzyl-2-phenoxy-N-pyridin-2-ylbutanamide
PubChem CID2948029
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-benzyl-2-phenoxy-N-pyridin-2-ylbutanamide
SMILESCCC(Oc1ccccc1)C(=O)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C22H22N2O2/c1-2-20(26-19-13-7-4-8-14-19)22(25)24(21-15-9-10-16-23-21)17-18-11-5-3-6-12-18/h3-16,20H,2,17H2,1H3
InChIKeyLBEAVPKMIUYSRK-UHFFFAOYSA-N
XLogP4.47
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-phenoxy-N-pyridin-2-ylbutanamide?
The IUPAC name of N-benzyl-2-phenoxy-N-pyridin-2-ylbutanamide (CID 2948029) is N-benzyl-2-phenoxy-N-pyridin-2-ylbutanamide.
What is the SMILES notation for N-benzyl-2-phenoxy-N-pyridin-2-ylbutanamide?
The canonical SMILES for N-benzyl-2-phenoxy-N-pyridin-2-ylbutanamide is CCC(Oc1ccccc1)C(=O)N(Cc1ccccc1)c1ccccn1.
What is the InChIKey of N-benzyl-2-phenoxy-N-pyridin-2-ylbutanamide?
The InChIKey is LBEAVPKMIUYSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-2-20(26-19-13-7-4-8-14-19)22(25)24(21-15-9-10-16-23-21)17-18-11-5-3-6-12-18/h3-16,20H,2,17H2,1H3.
What are the key properties of N-benzyl-2-phenoxy-N-pyridin-2-ylbutanamide?
N-benzyl-2-phenoxy-N-pyridin-2-ylbutanamide has a molecular weight of 346.43 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-phenoxy-N-pyridin-2-ylbutanamide is sourced from PubChem (CID 2948029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).