(2R)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[(1R)-1-phenylethyl]propanamide

C21H28N2O2 — CID 98700243

IUPAC(2R)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[(1R)-1-phenylethyl]propanamide
SMILESCc1ccc(OCCN(C)[C@H](C)C(=O)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C21H28N2O2/c1-16-10-12-20(13-11-16)25-15-14-23(4)18(3)21(24)22-17(2)19-8-6-5-7-9-19/h5-13,17-18H,14-15H2,1-4H3,(H,22,24)/t17-,18-/m1/s1
InChIKeyPPUJVWBPSGBIEB-QZTJIDSGSA-N
MW340.47 g/mol
LogP3.57
Rot. Bonds8

About (2R)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[(1R)-1-phenylethyl]propanamide

(2R)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[(1R)-1-phenylethyl]propanamide (PubChem CID 98700243) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is (2R)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[(1R)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[(1R)-1-phenylethyl]propanamide
PubChem CID98700243
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name(2R)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[(1R)-1-phenylethyl]propanamide
SMILESCc1ccc(OCCN(C)[C@H](C)C(=O)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C21H28N2O2/c1-16-10-12-20(13-11-16)25-15-14-23(4)18(3)21(24)22-17(2)19-8-6-5-7-9-19/h5-13,17-18H,14-15H2,1-4H3,(H,22,24)/t17-,18-/m1/s1
InChIKeyPPUJVWBPSGBIEB-QZTJIDSGSA-N
XLogP3.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 51242961
N-(3-acetamidophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 86919247
(2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(1R)-1-phenylethyl]propanamide
CID 94150043
N-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 18083553
4-(4-methylphenoxy)-N-(1-phenylethylcarbamothioyl)butanamide
CID 19188578
N-(2,4-difluorophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 18094905
3-amino-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
CID 119695394
N-benzyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]propanamide
CID 74519943
N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 46808821
2-[(2-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
CID 46801717
2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetic acid
CID 43386105
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(4-methylphenoxy)propanamide
CID 95567781

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[(1R)-1-phenylethyl]propanamide?
The IUPAC name of (2R)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[(1R)-1-phenylethyl]propanamide (CID 98700243) is (2R)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[(1R)-1-phenylethyl]propanamide.
What is the SMILES notation for (2R)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[(1R)-1-phenylethyl]propanamide?
The canonical SMILES for (2R)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[(1R)-1-phenylethyl]propanamide is Cc1ccc(OCCN(C)[C@H](C)C(=O)N[C@H](C)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[(1R)-1-phenylethyl]propanamide?
The InChIKey is PPUJVWBPSGBIEB-QZTJIDSGSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-16-10-12-20(13-11-16)25-15-14-23(4)18(3)21(24)22-17(2)19-8-6-5-7-9-19/h5-13,17-18H,14-15H2,1-4H3,(H,22,24)/t17-,18-/m1/s1.
What are the key properties of (2R)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[(1R)-1-phenylethyl]propanamide?
(2R)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[(1R)-1-phenylethyl]propanamide has a molecular weight of 340.47 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[(1R)-1-phenylethyl]propanamide is sourced from PubChem (CID 98700243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).