N-[[2-(dimethylamino)phenyl]-phenylmethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide

C29H31N3O3 — CID 71493503

IUPACN-[[2-(dimethylamino)phenyl]-phenylmethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
SMILESCc1noc(C)c1COc1ccc(CC(=O)NC(c2ccccc2)c2ccccc2N(C)C)cc1
InChIInChI=1S/C29H31N3O3/c1-20-26(21(2)35-31-20)19-34-24-16-14-22(15-17-24)18-28(33)30-29(23-10-6-5-7-11-23)25-12-8-9-13-27(25)32(3)4/h5-17,29H,18-19H2,1-4H3,(H,30,33)
InChIKeyMXUUYHAWJVECLR-UHFFFAOYSA-N
MW469.59 g/mol
LogP5.38
Rot. Bonds9

About N-[[2-(dimethylamino)phenyl]-phenylmethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide

N-[[2-(dimethylamino)phenyl]-phenylmethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide (PubChem CID 71493503) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[[2-(dimethylamino)phenyl]-phenylmethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)phenyl]-phenylmethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
PubChem CID71493503
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC NameN-[[2-(dimethylamino)phenyl]-phenylmethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
SMILESCc1noc(C)c1COc1ccc(CC(=O)NC(c2ccccc2)c2ccccc2N(C)C)cc1
InChIInChI=1S/C29H31N3O3/c1-20-26(21(2)35-31-20)19-34-24-16-14-22(15-17-24)18-28(33)30-29(23-10-6-5-7-11-23)25-12-8-9-13-27(25)32(3)4/h5-17,29H,18-19H2,1-4H3,(H,30,33)
InChIKeyMXUUYHAWJVECLR-UHFFFAOYSA-N
XLogP5.38
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]acetamide
CID 71493816
N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 71493658
2-[4-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 71247898
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 112766082
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(4-phenylmethoxyphenyl)acetamide
CID 27650114
N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide
CID 27665797
N-(3,4-dichlorophenyl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 26085736
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methoxyacetamide
CID 30796971
N-[bis(4-methylphenyl)methyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]phenyl]acetamide
CID 71494295
[(1R)-1-(2-chlorophenyl)ethyl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 7399133
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-morpholin-4-yl-2-phenylethyl)acetamide
CID 43057556
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-ethyl-N-phenylacetamide
CID 43025463

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)phenyl]-phenylmethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide?
The IUPAC name of N-[[2-(dimethylamino)phenyl]-phenylmethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide (CID 71493503) is N-[[2-(dimethylamino)phenyl]-phenylmethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide.
What is the SMILES notation for N-[[2-(dimethylamino)phenyl]-phenylmethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide?
The canonical SMILES for N-[[2-(dimethylamino)phenyl]-phenylmethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide is Cc1noc(C)c1COc1ccc(CC(=O)NC(c2ccccc2)c2ccccc2N(C)C)cc1.
What is the InChIKey of N-[[2-(dimethylamino)phenyl]-phenylmethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide?
The InChIKey is MXUUYHAWJVECLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-20-26(21(2)35-31-20)19-34-24-16-14-22(15-17-24)18-28(33)30-29(23-10-6-5-7-11-23)25-12-8-9-13-27(25)32(3)4/h5-17,29H,18-19H2,1-4H3,(H,30,33).
What are the key properties of N-[[2-(dimethylamino)phenyl]-phenylmethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide?
N-[[2-(dimethylamino)phenyl]-phenylmethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide has a molecular weight of 469.59 g/mol, XLogP of 5.38, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)phenyl]-phenylmethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 71493503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).