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

C25H30ClN3O3 — CID 127263272

IUPACN-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide;hydrochloride
SMILESCOc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1CNCCNC(C)=O.Cl
InChIInChI=1S/C25H29N3O3.ClH/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29;/h4-13,26H,14-17H2,1-3H3,(H,27,29);1H
InChIKeyXGIQBUNWFCCMAS-UHFFFAOYSA-N
MW455.99 g/mol
LogP4.29
Rot. Bonds10

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

N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide;hydrochloride (PubChem CID 127263272) has the molecular formula C25H30ClN3O3 and a molecular weight of 455.99 g/mol. Its IUPAC name is N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide;hydrochloride
PubChem CID127263272
Molecular FormulaC25H30ClN3O3
Molecular Weight455.99 g/mol
Exact Mass455.20
IUPAC NameN-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide;hydrochloride
SMILESCOc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1CNCCNC(C)=O.Cl
InChIInChI=1S/C25H29N3O3.ClH/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29;/h4-13,26H,14-17H2,1-3H3,(H,27,29);1H
InChIKeyXGIQBUNWFCCMAS-UHFFFAOYSA-N
XLogP4.29
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.99
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide;hydrochloride?
The IUPAC name of N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide;hydrochloride (CID 127263272) is N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide;hydrochloride?
The canonical SMILES for N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide;hydrochloride is COc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1CNCCNC(C)=O.Cl.
What is the InChIKey of N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide;hydrochloride?
The InChIKey is XGIQBUNWFCCMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3.ClH/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29;/h4-13,26H,14-17H2,1-3H3,(H,27,29);1H.
What are the key properties of N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide;hydrochloride?
N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide;hydrochloride has a molecular weight of 455.99 g/mol, XLogP of 4.29, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide;hydrochloride is sourced from PubChem (CID 127263272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).