2-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide

C19H24N2O2 — CID 94814876

IUPAC2-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide
SMILESCOc1ccc([C@H](NCC(=O)N(C)C)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H24N2O2/c1-14-5-7-15(8-6-14)19(20-13-18(22)21(2)3)16-9-11-17(23-4)12-10-16/h5-12,19-20H,13H2,1-4H3/t19-/m1/s1
InChIKeyHJRHCEXDRBJNSF-LJQANCHMSA-N
MW312.41 g/mol
LogP2.77
Rot. Bonds6

About 2-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide

2-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide (PubChem CID 94814876) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide
PubChem CID94814876
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide
SMILESCOc1ccc([C@H](NCC(=O)N(C)C)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H24N2O2/c1-14-5-7-15(8-6-14)19(20-13-18(22)21(2)3)16-9-11-17(23-4)12-10-16/h5-12,19-20H,13H2,1-4H3/t19-/m1/s1
InChIKeyHJRHCEXDRBJNSF-LJQANCHMSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide (CID 94814876) is 2-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide is COc1ccc([C@H](NCC(=O)N(C)C)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide?
The InChIKey is HJRHCEXDRBJNSF-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14-5-7-15(8-6-14)19(20-13-18(22)21(2)3)16-9-11-17(23-4)12-10-16/h5-12,19-20H,13H2,1-4H3/t19-/m1/s1.
What are the key properties of 2-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide?
2-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide has a molecular weight of 312.41 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 94814876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).