N-(3,4-dimethylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide

C21H28N2O2 — CID 124749856

IUPACN-(3,4-dimethylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide
SMILESCc1ccc(NC(=O)CCN(C)CC[C@@H](O)c2ccccc2)cc1C
InChIInChI=1S/C21H28N2O2/c1-16-9-10-19(15-17(16)2)22-21(25)12-14-23(3)13-11-20(24)18-7-5-4-6-8-18/h4-10,15,20,24H,11-14H2,1-3H3,(H,22,25)/t20-/m1/s1
InChIKeyBOSKMJHZOMWBCT-HXUWFJFHSA-N
MW340.47 g/mol
LogP3.69
Rot. Bonds8

About N-(3,4-dimethylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide

N-(3,4-dimethylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide (PubChem CID 124749856) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide
PubChem CID124749856
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-(3,4-dimethylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide
SMILESCc1ccc(NC(=O)CCN(C)CC[C@@H](O)c2ccccc2)cc1C
InChIInChI=1S/C21H28N2O2/c1-16-9-10-19(15-17(16)2)22-21(25)12-14-23(3)13-11-20(24)18-7-5-4-6-8-18/h4-10,15,20,24H,11-14H2,1-3H3,(H,22,25)/t20-/m1/s1
InChIKeyBOSKMJHZOMWBCT-HXUWFJFHSA-N
XLogP3.69
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-3-(N-methylanilino)propanamide
CID 109034636
2-[acetyl(1-phenylethyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113162035
N-(3-chloro-2-methylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide
CID 124750843
N-(3,4-dimethylphenyl)-3-(N-ethylanilino)propanamide
CID 109035427
(1R)-3-(3,4-dimethylanilino)-1-phenylpropan-1-ol
CID 94271417
3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 109020626
3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
CID 60987692
N-(3,4-dimethylphenyl)-3-(N-methylsulfonylanilino)propanamide
CID 113141510
N-(3,4-dimethylphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 2684031
N-(3,4-dimethylphenyl)-3-(dipropylamino)propanamide
CID 109033116
3-[2-(dimethylamino)ethyl-methylamino]-1-phenylpropan-1-ol
CID 63700698
N-[4-[[(3S)-3-hydroxy-3-phenylpropyl]sulfamoyl]-3-methylphenyl]propanamide
CID 97104756

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide (CID 124749856) is N-(3,4-dimethylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide is Cc1ccc(NC(=O)CCN(C)CC[C@@H](O)c2ccccc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide?
The InChIKey is BOSKMJHZOMWBCT-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-16-9-10-19(15-17(16)2)22-21(25)12-14-23(3)13-11-20(24)18-7-5-4-6-8-18/h4-10,15,20,24H,11-14H2,1-3H3,(H,22,25)/t20-/m1/s1.
What are the key properties of N-(3,4-dimethylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide?
N-(3,4-dimethylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide has a molecular weight of 340.47 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide is sourced from PubChem (CID 124749856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).