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

C31H32N2O2 — CID 71494462

IUPACN-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[2-(2-methyl-3-pyridinyl)ethoxy]phenyl]acetamide
SMILESCc1ccc(C(NC(=O)Cc2ccc(OCCc3cccnc3C)cc2)c2ccccc2)c(C)c1
InChIInChI=1S/C31H32N2O2/c1-22-11-16-29(23(2)20-22)31(27-8-5-4-6-9-27)33-30(34)21-25-12-14-28(15-13-25)35-19-17-26-10-7-18-32-24(26)3/h4-16,18,20,31H,17,19,21H2,1-3H3,(H,33,34)
InChIKeyXKDGZMGUFBHODP-UHFFFAOYSA-N
MW464.61 g/mol
LogP6.08
Rot. Bonds9

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

N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[2-(2-methyl-3-pyridinyl)ethoxy]phenyl]acetamide (PubChem CID 71494462) has the molecular formula C31H32N2O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[2-(2-methyl-3-pyridinyl)ethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[2-(2-methyl-3-pyridinyl)ethoxy]phenyl]acetamide
PubChem CID71494462
Molecular FormulaC31H32N2O2
Molecular Weight464.61 g/mol
Exact Mass464.25
IUPAC NameN-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[2-(2-methyl-3-pyridinyl)ethoxy]phenyl]acetamide
SMILESCc1ccc(C(NC(=O)Cc2ccc(OCCc3cccnc3C)cc2)c2ccccc2)c(C)c1
InChIInChI=1S/C31H32N2O2/c1-22-11-16-29(23(2)20-22)31(27-8-5-4-6-9-27)33-30(34)21-25-12-14-28(15-13-25)35-19-17-26-10-7-18-32-24(26)3/h4-16,18,20,31H,17,19,21H2,1-3H3,(H,33,34)
InChIKeyXKDGZMGUFBHODP-UHFFFAOYSA-N
XLogP6.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-methyl-4-[(2-methyl-3-pyridinyl)methoxy]phenyl]acetamide
CID 71494602
ethyl 2-[1-[4-[2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-(2-methyl-3-pyridinyl)ethoxy]acetate
CID 71247934
N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(3-methyl-4-pyridinyl)methoxy]phenyl]acetamide
CID 90186375
1-[(2,4-dimethylphenyl)-phenylmethyl]-2-[[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]methyl]hydrazine
CID 90196751
N-[(4-chlorophenyl)-(2,4-dimethylphenyl)methyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]phenyl]acetamide
CID 71247963
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
N-benzhydryl-2-(4-ethoxyphenyl)acetamide
CID 26735218
N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-[2-(2-methyl-3-pyridinyl)quinolin-6-yl]acetamide
CID 71247503
N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide
CID 95228803
1-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-3-(4-ethoxyphenyl)thiourea
CID 100747354
N-[bis(4-methylphenyl)methyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]phenyl]acetamide
CID 71494295

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[2-(2-methyl-3-pyridinyl)ethoxy]phenyl]acetamide?
The IUPAC name of N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[2-(2-methyl-3-pyridinyl)ethoxy]phenyl]acetamide (CID 71494462) is N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[2-(2-methyl-3-pyridinyl)ethoxy]phenyl]acetamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[2-(2-methyl-3-pyridinyl)ethoxy]phenyl]acetamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[2-(2-methyl-3-pyridinyl)ethoxy]phenyl]acetamide is Cc1ccc(C(NC(=O)Cc2ccc(OCCc3cccnc3C)cc2)c2ccccc2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[2-(2-methyl-3-pyridinyl)ethoxy]phenyl]acetamide?
The InChIKey is XKDGZMGUFBHODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O2/c1-22-11-16-29(23(2)20-22)31(27-8-5-4-6-9-27)33-30(34)21-25-12-14-28(15-13-25)35-19-17-26-10-7-18-32-24(26)3/h4-16,18,20,31H,17,19,21H2,1-3H3,(H,33,34).
What are the key properties of N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[2-(2-methyl-3-pyridinyl)ethoxy]phenyl]acetamide?
N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[2-(2-methyl-3-pyridinyl)ethoxy]phenyl]acetamide has a molecular weight of 464.61 g/mol, XLogP of 6.08, 9 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-[2-(2-methyl-3-pyridinyl)ethoxy]phenyl]acetamide is sourced from PubChem (CID 71494462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).