N-methyl-2-(3-methyl-4-propan-2-ylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]acetamide

C25H28N2O2 — CID 55767815

IUPACN-methyl-2-(3-methyl-4-propan-2-ylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]acetamide
SMILESCc1cc(OCC(=O)N(C)C(c2ccccc2)c2ccccn2)ccc1C(C)C
InChIInChI=1S/C25H28N2O2/c1-18(2)22-14-13-21(16-19(22)3)29-17-24(28)27(4)25(20-10-6-5-7-11-20)23-12-8-9-15-26-23/h5-16,18,25H,17H2,1-4H3
InChIKeyWDVFOAUSJQVYQK-UHFFFAOYSA-N
MW388.51 g/mol
LogP5.14
Rot. Bonds7

About N-methyl-2-(3-methyl-4-propan-2-ylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]acetamide

N-methyl-2-(3-methyl-4-propan-2-ylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]acetamide (PubChem CID 55767815) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-methyl-2-(3-methyl-4-propan-2-ylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-methyl-4-propan-2-ylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]acetamide
PubChem CID55767815
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC NameN-methyl-2-(3-methyl-4-propan-2-ylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]acetamide
SMILESCc1cc(OCC(=O)N(C)C(c2ccccc2)c2ccccn2)ccc1C(C)C
InChIInChI=1S/C25H28N2O2/c1-18(2)22-14-13-21(16-19(22)3)29-17-24(28)27(4)25(20-10-6-5-7-11-20)23-12-8-9-15-26-23/h5-16,18,25H,17H2,1-4H3
InChIKeyWDVFOAUSJQVYQK-UHFFFAOYSA-N
XLogP5.14
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-N-methyl-2-(3-methylphenoxy)acetamide
CID 8919009
4-(2-ethoxyphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide
CID 55767816
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
CID 124888794
4-(4-chloro-2-methylphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide
CID 55768262
2-(4-chloro-3-methylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
CID 54856949
N-methyl-2-(2-methylindol-1-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 55767403
2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-2-pyridinyl)acetamide
CID 27896918
N-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51956913
3-(3-methyl-4-propan-2-ylphenoxy)propanoic acid
CID 16773331
N-methyl-4-pentoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 60530727
3-methoxy-N-methyl-N-[phenyl(pyridin-2-yl)methyl]-4-propan-2-yloxybenzamide
CID 55767493
3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 55880579

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methyl-4-propan-2-ylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-(3-methyl-4-propan-2-ylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]acetamide (CID 55767815) is N-methyl-2-(3-methyl-4-propan-2-ylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-(3-methyl-4-propan-2-ylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-(3-methyl-4-propan-2-ylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]acetamide is Cc1cc(OCC(=O)N(C)C(c2ccccc2)c2ccccn2)ccc1C(C)C.
What is the InChIKey of N-methyl-2-(3-methyl-4-propan-2-ylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]acetamide?
The InChIKey is WDVFOAUSJQVYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-18(2)22-14-13-21(16-19(22)3)29-17-24(28)27(4)25(20-10-6-5-7-11-20)23-12-8-9-15-26-23/h5-16,18,25H,17H2,1-4H3.
What are the key properties of N-methyl-2-(3-methyl-4-propan-2-ylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]acetamide?
N-methyl-2-(3-methyl-4-propan-2-ylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]acetamide has a molecular weight of 388.51 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methyl-4-propan-2-ylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]acetamide is sourced from PubChem (CID 55767815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).