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

C31H32N2O3 — CID 71494750

IUPACN-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[2-hydroxy-2-(2-methyl-3-pyridinyl)ethoxy]phenyl]acetamide
SMILESCc1ccc(C(NC(=O)Cc2ccc(OCC(O)c3cccnc3C)cc2)c2ccccc2)c(C)c1
InChIInChI=1S/C31H32N2O3/c1-21-11-16-27(22(2)18-21)31(25-8-5-4-6-9-25)33-30(35)19-24-12-14-26(15-13-24)36-20-29(34)28-10-7-17-32-23(28)3/h4-18,29,31,34H,19-20H2,1-3H3,(H,33,35)
InChIKeyVMCLDYBIYIVMLB-UHFFFAOYSA-N
MW480.61 g/mol
LogP5.57
Rot. Bonds9

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

N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[2-hydroxy-2-(2-methyl-3-pyridinyl)ethoxy]phenyl]acetamide (PubChem CID 71494750) has the molecular formula C31H32N2O3 and a molecular weight of 480.61 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[2-hydroxy-2-(2-methyl-3-pyridinyl)ethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[2-hydroxy-2-(2-methyl-3-pyridinyl)ethoxy]phenyl]acetamide
PubChem CID71494750
Molecular FormulaC31H32N2O3
Molecular Weight480.61 g/mol
Exact Mass480.24
IUPAC NameN-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[2-hydroxy-2-(2-methyl-3-pyridinyl)ethoxy]phenyl]acetamide
SMILESCc1ccc(C(NC(=O)Cc2ccc(OCC(O)c3cccnc3C)cc2)c2ccccc2)c(C)c1
InChIInChI=1S/C31H32N2O3/c1-21-11-16-27(22(2)18-21)31(25-8-5-4-6-9-25)33-30(35)19-24-12-14-26(15-13-24)36-20-29(34)28-10-7-17-32-23(28)3/h4-18,29,31,34H,19-20H2,1-3H3,(H,33,35)
InChIKeyVMCLDYBIYIVMLB-UHFFFAOYSA-N
XLogP5.57
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-({[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]-amino}carbonyl)-4-{[(6-methylpyridin-3-yl)oxy]methyl}-phenyl)propanoic acid
CID 10051189
3-(2-({[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]-amino}carbonyl)-4-{[(2-methylpyridin-3-yl)oxy]methyl}-phenyl)propanoic acid
CID 10480657
2-(4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)carbamoyl]phenyl}-2-hydroxybutyl)-N-(2-hydroxyethyl)-5-methyl-N-{2-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-yl}benzamide
CID 461076
hnpsPLA2-IIa Inhibitor, 2f
CID 57339609
N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-methyl-3-pyridinyl)methyl]naphthalene-2-carboxamide
CID 54755602
N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-vinylpyridin-3-yl)methyl]-2-naphthamide
CID 54755721
N-[(1S,2S)-2-Hydroxycyclohexyl]-1-methoxy-4-[(6-ethylpyridin-3-yl)methyl]-2-naphthamide
CID 71280872
US11845730, Example 103
CID 165143837
3,4-bis(4-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide
CID 14570094
N-[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]-2-isoquinolin-3-ylacetamide
CID 44127678
N-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]-2-(3-methyl-2-pyridinyl)acetamide
CID 44574721
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-2-(phenoxymethyl)benzamide
CID 46882028

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[2-hydroxy-2-(2-methyl-3-pyridinyl)ethoxy]phenyl]acetamide?
The IUPAC name of N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[2-hydroxy-2-(2-methyl-3-pyridinyl)ethoxy]phenyl]acetamide (CID 71494750) is N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[2-hydroxy-2-(2-methyl-3-pyridinyl)ethoxy]phenyl]acetamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[2-hydroxy-2-(2-methyl-3-pyridinyl)ethoxy]phenyl]acetamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[2-hydroxy-2-(2-methyl-3-pyridinyl)ethoxy]phenyl]acetamide is Cc1ccc(C(NC(=O)Cc2ccc(OCC(O)c3cccnc3C)cc2)c2ccccc2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[2-hydroxy-2-(2-methyl-3-pyridinyl)ethoxy]phenyl]acetamide?
The InChIKey is VMCLDYBIYIVMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O3/c1-21-11-16-27(22(2)18-21)31(25-8-5-4-6-9-25)33-30(35)19-24-12-14-26(15-13-24)36-20-29(34)28-10-7-17-32-23(28)3/h4-18,29,31,34H,19-20H2,1-3H3,(H,33,35).
What are the key properties of N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[2-hydroxy-2-(2-methyl-3-pyridinyl)ethoxy]phenyl]acetamide?
N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[2-hydroxy-2-(2-methyl-3-pyridinyl)ethoxy]phenyl]acetamide has a molecular weight of 480.61 g/mol, XLogP of 5.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[2-hydroxy-2-(2-methyl-3-pyridinyl)ethoxy]phenyl]acetamide is sourced from PubChem (CID 71494750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).