2-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide

C18H21NO4 — CID 110784312

IUPAC2-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(OC)c(CNC(=O)Cc2ccccc2)c(OC)c1
InChIInChI=1S/C18H21NO4/c1-21-14-10-16(22-2)15(17(11-14)23-3)12-19-18(20)9-13-7-5-4-6-8-13/h4-8,10-11H,9,12H2,1-3H3,(H,19,20)
InChIKeyRGVDWIOSSCPSTR-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.57
Rot. Bonds7

About 2-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide

2-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide (PubChem CID 110784312) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide
PubChem CID110784312
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name2-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(OC)c(CNC(=O)Cc2ccccc2)c(OC)c1
InChIInChI=1S/C18H21NO4/c1-21-14-10-16(22-2)15(17(11-14)23-3)12-19-18(20)9-13-7-5-4-6-8-13/h4-8,10-11H,9,12H2,1-3H3,(H,19,20)
InChIKeyRGVDWIOSSCPSTR-UHFFFAOYSA-N
XLogP2.57
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
3-amino-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119295082
N-[(2,4-dimethoxyphenyl)methyl]-3-[(2-phenylacetyl)amino]propanamide
CID 46590301
methyl 2-[4,5-dimethoxy-2-[[(2-phenylacetyl)amino]methyl]phenyl]acetate
CID 67148501
methyl 3-phenyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
CID 141372630
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
2-(2-amino-4,5-dimethoxyphenyl)-N-benzylacetamide
CID 154144310
2-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 18116287
N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110784320
3-amino-2-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119733857
N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 110784319
(2-hydroxy-4,6-dimethoxyphenyl)methylcarbamic acid
CID 172824668

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide (CID 110784312) is 2-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide is COc1cc(OC)c(CNC(=O)Cc2ccccc2)c(OC)c1.
What is the InChIKey of 2-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide?
The InChIKey is RGVDWIOSSCPSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-21-14-10-16(22-2)15(17(11-14)23-3)12-19-18(20)9-13-7-5-4-6-8-13/h4-8,10-11H,9,12H2,1-3H3,(H,19,20).
What are the key properties of 2-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide?
2-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide has a molecular weight of 315.37 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 110784312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).