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

C30H30N2O2 — CID 90186375

IUPACN-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(3-methyl-4-pyridinyl)methoxy]phenyl]acetamide
SMILESCc1ccc(C(NC(=O)Cc2ccc(OCc3ccncc3C)cc2)c2ccccc2)c(C)c1
InChIInChI=1S/C30H30N2O2/c1-21-9-14-28(22(2)17-21)30(25-7-5-4-6-8-25)32-29(33)18-24-10-12-27(13-11-24)34-20-26-15-16-31-19-23(26)3/h4-17,19,30H,18,20H2,1-3H3,(H,32,33)
InChIKeyLCRFAMLRWCWSQW-UHFFFAOYSA-N
MW450.58 g/mol
LogP6.03
Rot. Bonds8

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

N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(3-methyl-4-pyridinyl)methoxy]phenyl]acetamide (PubChem CID 90186375) has the molecular formula C30H30N2O2 and a molecular weight of 450.58 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(3-methyl-4-pyridinyl)methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(3-methyl-4-pyridinyl)methoxy]phenyl]acetamide
PubChem CID90186375
Molecular FormulaC30H30N2O2
Molecular Weight450.58 g/mol
Exact Mass450.23
IUPAC NameN-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(3-methyl-4-pyridinyl)methoxy]phenyl]acetamide
SMILESCc1ccc(C(NC(=O)Cc2ccc(OCc3ccncc3C)cc2)c2ccccc2)c(C)c1
InChIInChI=1S/C30H30N2O2/c1-21-9-14-28(22(2)17-21)30(25-7-5-4-6-8-25)32-29(33)18-24-10-12-27(13-11-24)34-20-26-15-16-31-19-23(26)3/h4-17,19,30H,18,20H2,1-3H3,(H,32,33)
InChIKeyLCRFAMLRWCWSQW-UHFFFAOYSA-N
XLogP6.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.58
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[2-(2-methyl-3-pyridinyl)ethoxy]phenyl]acetamide
CID 71494462
N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-methyl-4-[(2-methyl-3-pyridinyl)methoxy]phenyl]acetamide
CID 71494602
N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide
CID 95228803
N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(2E,4Z)-2-prop-1-en-2-ylhexa-2,4-dienoxy]phenyl]acetamide
CID 144523614
2-(4-methylphenyl)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 93487393
1-[(2,4-dimethylphenyl)-phenylmethyl]-2-[[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]methyl]hydrazine
CID 90196751
ethyl 2-[1-[4-[2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-(2-methyl-3-pyridinyl)ethoxy]acetate
CID 71247934
N-[(4-chlorophenyl)-(2,4-dimethylphenyl)methyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]phenyl]acetamide
CID 71247963
N-benzhydryl-2-(4-ethoxyphenyl)acetamide
CID 26735218
2-[4-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 71247898
N-[(S)-(2,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-propan-2-yloxyacetamide
CID 125167436
1-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-3-(4-ethoxyphenyl)thiourea
CID 100747354

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(3-methyl-4-pyridinyl)methoxy]phenyl]acetamide?
The IUPAC name of N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(3-methyl-4-pyridinyl)methoxy]phenyl]acetamide (CID 90186375) is N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(3-methyl-4-pyridinyl)methoxy]phenyl]acetamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(3-methyl-4-pyridinyl)methoxy]phenyl]acetamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(3-methyl-4-pyridinyl)methoxy]phenyl]acetamide is Cc1ccc(C(NC(=O)Cc2ccc(OCc3ccncc3C)cc2)c2ccccc2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(3-methyl-4-pyridinyl)methoxy]phenyl]acetamide?
The InChIKey is LCRFAMLRWCWSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O2/c1-21-9-14-28(22(2)17-21)30(25-7-5-4-6-8-25)32-29(33)18-24-10-12-27(13-11-24)34-20-26-15-16-31-19-23(26)3/h4-17,19,30H,18,20H2,1-3H3,(H,32,33).
What are the key properties of N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(3-methyl-4-pyridinyl)methoxy]phenyl]acetamide?
N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(3-methyl-4-pyridinyl)methoxy]phenyl]acetamide has a molecular weight of 450.58 g/mol, XLogP of 6.03, 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-[4-[(3-methyl-4-pyridinyl)methoxy]phenyl]acetamide is sourced from PubChem (CID 90186375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).