(2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide

C19H24N2O2 — CID 8760980

IUPAC(2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide
SMILESCOc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C19H24N2O2/c1-14-6-5-7-17(12-14)20-19(22)15(2)21(3)13-16-8-10-18(23-4)11-9-16/h5-12,15H,13H2,1-4H3,(H,20,22)/t15-/m1/s1
InChIKeyVBXOFGWVMSZWAX-OAHLLOKOSA-N
MW312.41 g/mol
LogP3.46
Rot. Bonds6

About (2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide

(2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide (PubChem CID 8760980) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide
PubChem CID8760980
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide
SMILESCOc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C19H24N2O2/c1-14-6-5-7-17(12-14)20-19(22)15(2)21(3)13-16-8-10-18(23-4)11-9-16/h5-12,15H,13H2,1-4H3,(H,20,22)/t15-/m1/s1
InChIKeyVBXOFGWVMSZWAX-OAHLLOKOSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide?
The IUPAC name of (2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide (CID 8760980) is (2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide is COc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of (2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide?
The InChIKey is VBXOFGWVMSZWAX-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14-6-5-7-17(12-14)20-19(22)15(2)21(3)13-16-8-10-18(23-4)11-9-16/h5-12,15H,13H2,1-4H3,(H,20,22)/t15-/m1/s1.
What are the key properties of (2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide?
(2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide has a molecular weight of 312.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 8760980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).