N-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide

C24H27N3O2 — CID 121452784

IUPACN-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1ccc(OCc2cccc(-c3ccccc3)c2C)nc1
InChIInChI=1S/C24H27N3O2/c1-18-22(9-6-10-23(18)21-7-4-3-5-8-21)17-29-24-12-11-20(16-27-24)15-25-13-14-26-19(2)28/h3-12,16,25H,13-15,17H2,1-2H3,(H,26,28)
InChIKeyOLDRYSNASSVDEG-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.86
Rot. Bonds9

About N-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide

N-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide (PubChem CID 121452784) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide
PubChem CID121452784
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1ccc(OCc2cccc(-c3ccccc3)c2C)nc1
InChIInChI=1S/C24H27N3O2/c1-18-22(9-6-10-23(18)21-7-4-3-5-8-21)17-29-24-12-11-20(16-27-24)15-25-13-14-26-19(2)28/h3-12,16,25H,13-15,17H2,1-2H3,(H,26,28)
InChIKeyOLDRYSNASSVDEG-UHFFFAOYSA-N
XLogP3.86
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide (CID 121452784) is N-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide is CC(=O)NCCNCc1ccc(OCc2cccc(-c3ccccc3)c2C)nc1.
What is the InChIKey of N-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide?
The InChIKey is OLDRYSNASSVDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-18-22(9-6-10-23(18)21-7-4-3-5-8-21)17-29-24-12-11-20(16-27-24)15-25-13-14-26-19(2)28/h3-12,16,25H,13-15,17H2,1-2H3,(H,26,28).
What are the key properties of N-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide?
N-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide has a molecular weight of 389.50 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide is sourced from PubChem (CID 121452784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).