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

C24H27N3O2 — CID 166634812

IUPACN-[2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]acetamide
SMILESCOc1nc(-c2cccc(-c3ccccc3)c2C)ccc1CNCCNC(C)=O
InChIInChI=1S/C24H27N3O2/c1-17-21(19-8-5-4-6-9-19)10-7-11-22(17)23-13-12-20(24(27-23)29-3)16-25-14-15-26-18(2)28/h4-13,25H,14-16H2,1-3H3,(H,26,28)
InChIKeyMXZDXTLOPCKRMV-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.96
Rot. Bonds8

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

N-[2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]acetamide (PubChem CID 166634812) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]acetamide
PubChem CID166634812
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]acetamide
SMILESCOc1nc(-c2cccc(-c3ccccc3)c2C)ccc1CNCCNC(C)=O
InChIInChI=1S/C24H27N3O2/c1-17-21(19-8-5-4-6-9-19)10-7-11-22(17)23-13-12-20(24(27-23)29-3)16-25-14-15-26-18(2)28/h4-13,25H,14-16H2,1-3H3,(H,26,28)
InChIKeyMXZDXTLOPCKRMV-UHFFFAOYSA-N
XLogP3.96
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.96
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-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]acetamide (CID 166634812) is N-[2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]acetamide is COc1nc(-c2cccc(-c3ccccc3)c2C)ccc1CNCCNC(C)=O.
What is the InChIKey of N-[2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]acetamide?
The InChIKey is MXZDXTLOPCKRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-17-21(19-8-5-4-6-9-19)10-7-11-22(17)23-13-12-20(24(27-23)29-3)16-25-14-15-26-18(2)28/h4-13,25H,14-16H2,1-3H3,(H,26,28).
What are the key properties of N-[2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]acetamide?
N-[2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]acetamide has a molecular weight of 389.50 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]acetamide is sourced from PubChem (CID 166634812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).