N-[2-[[2-methoxy-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]ethyl]acetamide

C26H31N3O2 — CID 162647848

IUPACN-[2-[[2-methoxy-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]ethyl]acetamide
SMILESCOc1cc(NCc2cccc(-c3ccccc3)c2C)ccc1CNCCNC(C)=O
InChIInChI=1S/C26H31N3O2/c1-19-22(10-7-11-25(19)21-8-5-4-6-9-21)18-29-24-13-12-23(26(16-24)31-3)17-27-14-15-28-20(2)30/h4-13,16,27,29H,14-15,17-18H2,1-3H3,(H,28,30)
InChIKeyCRDBACKRIRWNBE-UHFFFAOYSA-N
MW417.55 g/mol
LogP4.51
Rot. Bonds10

About N-[2-[[2-methoxy-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]ethyl]acetamide

N-[2-[[2-methoxy-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]ethyl]acetamide (PubChem CID 162647848) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-[2-[[2-methoxy-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-methoxy-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]ethyl]acetamide
PubChem CID162647848
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC NameN-[2-[[2-methoxy-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]ethyl]acetamide
SMILESCOc1cc(NCc2cccc(-c3ccccc3)c2C)ccc1CNCCNC(C)=O
InChIInChI=1S/C26H31N3O2/c1-19-22(10-7-11-25(19)21-8-5-4-6-9-21)18-29-24-13-12-23(26(16-24)31-3)17-27-14-15-28-20(2)30/h4-13,16,27,29H,14-15,17-18H2,1-3H3,(H,28,30)
InChIKeyCRDBACKRIRWNBE-UHFFFAOYSA-N
XLogP4.51
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.51
H-Bond Donors ≤ 53
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-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[2-methoxy-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]ethyl]acetamide (CID 162647848) is N-[2-[[2-methoxy-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[2-methoxy-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[2-methoxy-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]ethyl]acetamide is COc1cc(NCc2cccc(-c3ccccc3)c2C)ccc1CNCCNC(C)=O.
What is the InChIKey of N-[2-[[2-methoxy-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]ethyl]acetamide?
The InChIKey is CRDBACKRIRWNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-19-22(10-7-11-25(19)21-8-5-4-6-9-21)18-29-24-13-12-23(26(16-24)31-3)17-27-14-15-28-20(2)30/h4-13,16,27,29H,14-15,17-18H2,1-3H3,(H,28,30).
What are the key properties of N-[2-[[2-methoxy-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]ethyl]acetamide?
N-[2-[[2-methoxy-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]ethyl]acetamide has a molecular weight of 417.55 g/mol, XLogP of 4.51, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-methoxy-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]ethyl]acetamide is sourced from PubChem (CID 162647848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).