N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-methyl-4-[(2-methyl-3-pyridinyl)methoxy]phenyl]acetamide

C31H32N2O2 — CID 71494602

IUPACN-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-methyl-4-[(2-methyl-3-pyridinyl)methoxy]phenyl]acetamide
SMILESCc1ccc(C(NC(=O)Cc2ccc(OCc3cccnc3C)c(C)c2)c2ccccc2)c(C)c1
InChIInChI=1S/C31H32N2O2/c1-21-12-14-28(22(2)17-21)31(26-9-6-5-7-10-26)33-30(34)19-25-13-15-29(23(3)18-25)35-20-27-11-8-16-32-24(27)4/h5-18,31H,19-20H2,1-4H3,(H,33,34)
InChIKeyUFZNCBMERPPRIO-UHFFFAOYSA-N
MW464.61 g/mol
LogP6.34
Rot. Bonds8

About N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-methyl-4-[(2-methyl-3-pyridinyl)methoxy]phenyl]acetamide

N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-methyl-4-[(2-methyl-3-pyridinyl)methoxy]phenyl]acetamide (PubChem CID 71494602) has the molecular formula C31H32N2O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-methyl-4-[(2-methyl-3-pyridinyl)methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-methyl-4-[(2-methyl-3-pyridinyl)methoxy]phenyl]acetamide
PubChem CID71494602
Molecular FormulaC31H32N2O2
Molecular Weight464.61 g/mol
Exact Mass464.25
IUPAC NameN-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-methyl-4-[(2-methyl-3-pyridinyl)methoxy]phenyl]acetamide
SMILESCc1ccc(C(NC(=O)Cc2ccc(OCc3cccnc3C)c(C)c2)c2ccccc2)c(C)c1
InChIInChI=1S/C31H32N2O2/c1-21-12-14-28(22(2)17-21)31(26-9-6-5-7-10-26)33-30(34)19-25-13-15-29(23(3)18-25)35-20-27-11-8-16-32-24(27)4/h5-18,31H,19-20H2,1-4H3,(H,33,34)
InChIKeyUFZNCBMERPPRIO-UHFFFAOYSA-N
XLogP6.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-methyl-4-[(2-methyl-3-pyridinyl)methoxy]phenyl]acetamide?
The IUPAC name of N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-methyl-4-[(2-methyl-3-pyridinyl)methoxy]phenyl]acetamide (CID 71494602) is N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-methyl-4-[(2-methyl-3-pyridinyl)methoxy]phenyl]acetamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-methyl-4-[(2-methyl-3-pyridinyl)methoxy]phenyl]acetamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-methyl-4-[(2-methyl-3-pyridinyl)methoxy]phenyl]acetamide is Cc1ccc(C(NC(=O)Cc2ccc(OCc3cccnc3C)c(C)c2)c2ccccc2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-methyl-4-[(2-methyl-3-pyridinyl)methoxy]phenyl]acetamide?
The InChIKey is UFZNCBMERPPRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O2/c1-21-12-14-28(22(2)17-21)31(26-9-6-5-7-10-26)33-30(34)19-25-13-15-29(23(3)18-25)35-20-27-11-8-16-32-24(27)4/h5-18,31H,19-20H2,1-4H3,(H,33,34).
What are the key properties of N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-methyl-4-[(2-methyl-3-pyridinyl)methoxy]phenyl]acetamide?
N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-methyl-4-[(2-methyl-3-pyridinyl)methoxy]phenyl]acetamide has a molecular weight of 464.61 g/mol, XLogP of 6.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-methyl-4-[(2-methyl-3-pyridinyl)methoxy]phenyl]acetamide is sourced from PubChem (CID 71494602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).