(2R)-2-amino-N-(2,3,4,5,6-pentamethylphenyl)-3-phenylpropanamide

C20H26N2O — CID 124864491

IUPAC(2R)-2-amino-N-(2,3,4,5,6-pentamethylphenyl)-3-phenylpropanamide
SMILESCc1c(C)c(C)c(NC(=O)[C@H](N)Cc2ccccc2)c(C)c1C
InChIInChI=1S/C20H26N2O/c1-12-13(2)15(4)19(16(5)14(12)3)22-20(23)18(21)11-17-9-7-6-8-10-17/h6-10,18H,11,21H2,1-5H3,(H,22,23)/t18-/m1/s1
InChIKeyYNPZLWGTAJCPTQ-GOSISDBHSA-N
MW310.44 g/mol
LogP3.74
Rot. Bonds4

About (2R)-2-amino-N-(2,3,4,5,6-pentamethylphenyl)-3-phenylpropanamide

(2R)-2-amino-N-(2,3,4,5,6-pentamethylphenyl)-3-phenylpropanamide (PubChem CID 124864491) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is (2R)-2-amino-N-(2,3,4,5,6-pentamethylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2,3,4,5,6-pentamethylphenyl)-3-phenylpropanamide
PubChem CID124864491
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name(2R)-2-amino-N-(2,3,4,5,6-pentamethylphenyl)-3-phenylpropanamide
SMILESCc1c(C)c(C)c(NC(=O)[C@H](N)Cc2ccccc2)c(C)c1C
InChIInChI=1S/C20H26N2O/c1-12-13(2)15(4)19(16(5)14(12)3)22-20(23)18(21)11-17-9-7-6-8-10-17/h6-10,18H,11,21H2,1-5H3,(H,22,23)/t18-/m1/s1
InChIKeyYNPZLWGTAJCPTQ-GOSISDBHSA-N
XLogP3.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide
CID 22691205
2-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 61252081
(2S)-2-amino-N-(2,6-dichloro-3-methylphenyl)-3-phenylpropanamide
CID 61148146
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
(2S)-2-amino-N-(4-hydroxy-2-methylphenyl)-3-phenylpropanamide
CID 78995809
(2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide
CID 28976654
(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide
CID 22691206
2-amino-N-(4-iodo-2-methylphenyl)-3-phenylpropanamide
CID 43708097
(2R)-2-amino-N-(3-iodo-4-methylphenyl)-3-phenylpropanamide
CID 78985668
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide
CID 14837119
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide
CID 79602874

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2,3,4,5,6-pentamethylphenyl)-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-(2,3,4,5,6-pentamethylphenyl)-3-phenylpropanamide (CID 124864491) is (2R)-2-amino-N-(2,3,4,5,6-pentamethylphenyl)-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-(2,3,4,5,6-pentamethylphenyl)-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-(2,3,4,5,6-pentamethylphenyl)-3-phenylpropanamide is Cc1c(C)c(C)c(NC(=O)[C@H](N)Cc2ccccc2)c(C)c1C.
What is the InChIKey of (2R)-2-amino-N-(2,3,4,5,6-pentamethylphenyl)-3-phenylpropanamide?
The InChIKey is YNPZLWGTAJCPTQ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26N2O/c1-12-13(2)15(4)19(16(5)14(12)3)22-20(23)18(21)11-17-9-7-6-8-10-17/h6-10,18H,11,21H2,1-5H3,(H,22,23)/t18-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2,3,4,5,6-pentamethylphenyl)-3-phenylpropanamide?
(2R)-2-amino-N-(2,3,4,5,6-pentamethylphenyl)-3-phenylpropanamide has a molecular weight of 310.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2,3,4,5,6-pentamethylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 124864491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).