(2R)-2-amino-3-(4-methoxy-2,6-dimethylphenyl)-N-methyl-N-phenylpropanamide

C19H24N2O2 — CID 54006663

IUPAC(2R)-2-amino-3-(4-methoxy-2,6-dimethylphenyl)-N-methyl-N-phenylpropanamide
SMILESCOc1cc(C)c(C[C@@H](N)C(=O)N(C)c2ccccc2)c(C)c1
InChIInChI=1S/C19H24N2O2/c1-13-10-16(23-4)11-14(2)17(13)12-18(20)19(22)21(3)15-8-6-5-7-9-15/h5-11,18H,12,20H2,1-4H3/t18-/m1/s1
InChIKeyKPJCWRLVPBNSLG-GOSISDBHSA-N
MW312.41 g/mol
LogP2.84
Rot. Bonds5

About (2R)-2-amino-3-(4-methoxy-2,6-dimethylphenyl)-N-methyl-N-phenylpropanamide

(2R)-2-amino-3-(4-methoxy-2,6-dimethylphenyl)-N-methyl-N-phenylpropanamide (PubChem CID 54006663) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-methoxy-2,6-dimethylphenyl)-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-methoxy-2,6-dimethylphenyl)-N-methyl-N-phenylpropanamide
PubChem CID54006663
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(2R)-2-amino-3-(4-methoxy-2,6-dimethylphenyl)-N-methyl-N-phenylpropanamide
SMILESCOc1cc(C)c(C[C@@H](N)C(=O)N(C)c2ccccc2)c(C)c1
InChIInChI=1S/C19H24N2O2/c1-13-10-16(23-4)11-14(2)17(13)12-18(20)19(22)21(3)15-8-6-5-7-9-15/h5-11,18H,12,20H2,1-4H3/t18-/m1/s1
InChIKeyKPJCWRLVPBNSLG-GOSISDBHSA-N
XLogP2.84
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2S)-2-amino-3-(N-methylanilino)-3-oxopropyl]-3-chloro-5-methylphenyl] methyl carbonate
CID 54415688
2-amino-3-(2-chloro-4-hydroxy-6-methylphenyl)-N-methyl-N-phenylpropanamide
CID 23301663
(2S)-2-amino-N-(3-methoxyphenyl)-N-methylhexanamide
CID 107145312
(2S)-2-amino-N-(4-ethoxyphenyl)-N-methyl-3-phenylpropanamide
CID 75513593
2-(3-methoxyphenoxy)-N-methyl-N-phenylpropanamide
CID 43916072
(2S)-2-amino-N-[(5,6-dimethyl-2-pyridinyl)methyl]-N-(2-ethoxy-3-methoxypropyl)-3-(4-methoxy-2,6-dimethylphenyl)propanamide
CID 118176419
N'-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]propanediamide
CID 134344773
2-(7-methoxynaphthalen-2-yl)oxy-N-methyl-N-phenylpropanamide
CID 42899705
1-(4-methoxy-2,6-dimethylphenyl)butan-2-amine
CID 82255191
methyl 2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoate
CID 170883567
2-[(4-methoxyphenyl)-methylcarbamoyl]butanoic acid
CID 115185896
methyl 2-[methyl(phenyl)carbamoyl]-5-phenylpentanoate
CID 122388738

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-methoxy-2,6-dimethylphenyl)-N-methyl-N-phenylpropanamide?
The IUPAC name of (2R)-2-amino-3-(4-methoxy-2,6-dimethylphenyl)-N-methyl-N-phenylpropanamide (CID 54006663) is (2R)-2-amino-3-(4-methoxy-2,6-dimethylphenyl)-N-methyl-N-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-3-(4-methoxy-2,6-dimethylphenyl)-N-methyl-N-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-3-(4-methoxy-2,6-dimethylphenyl)-N-methyl-N-phenylpropanamide is COc1cc(C)c(C[C@@H](N)C(=O)N(C)c2ccccc2)c(C)c1.
What is the InChIKey of (2R)-2-amino-3-(4-methoxy-2,6-dimethylphenyl)-N-methyl-N-phenylpropanamide?
The InChIKey is KPJCWRLVPBNSLG-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-10-16(23-4)11-14(2)17(13)12-18(20)19(22)21(3)15-8-6-5-7-9-15/h5-11,18H,12,20H2,1-4H3/t18-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-methoxy-2,6-dimethylphenyl)-N-methyl-N-phenylpropanamide?
(2R)-2-amino-3-(4-methoxy-2,6-dimethylphenyl)-N-methyl-N-phenylpropanamide has a molecular weight of 312.41 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-methoxy-2,6-dimethylphenyl)-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 54006663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).