N'-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-N-(4-methylphenyl)propanediamide

C20H24N2O3 — CID 95128017

IUPACN'-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-N-(4-methylphenyl)propanediamide
SMILESCc1ccc(NC(=O)CC(=O)N[C@@H](CCO)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H24N2O3/c1-14-3-7-16(8-4-14)18(11-12-23)22-20(25)13-19(24)21-17-9-5-15(2)6-10-17/h3-10,18,23H,11-13H2,1-2H3,(H,21,24)(H,22,25)/t18-/m0/s1
InChIKeyPRQJLOLQXHZJLG-SFHVURJKSA-N
MW340.42 g/mol
LogP2.87
Rot. Bonds7

About N'-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-N-(4-methylphenyl)propanediamide

N'-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-N-(4-methylphenyl)propanediamide (PubChem CID 95128017) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N'-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-N-(4-methylphenyl)propanediamide.

Molecular Properties

Compound NameN'-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-N-(4-methylphenyl)propanediamide
PubChem CID95128017
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN'-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-N-(4-methylphenyl)propanediamide
SMILESCc1ccc(NC(=O)CC(=O)N[C@@H](CCO)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H24N2O3/c1-14-3-7-16(8-4-14)18(11-12-23)22-20(25)13-19(24)21-17-9-5-15(2)6-10-17/h3-10,18,23H,11-13H2,1-2H3,(H,21,24)(H,22,25)/t18-/m0/s1
InChIKeyPRQJLOLQXHZJLG-SFHVURJKSA-N
XLogP2.87
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea
CID 111450296
2-(cyclopropylmethylsulfanyl)-N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]acetamide
CID 125159447
2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(4-methylphenyl)acetamide
CID 104696173
N,3-bis(4-methylphenyl)butanamide
CID 2750905
(3R)-N,3-bis(4-methylphenyl)butanamide
CID 7054484
3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
3-(ethylamino)-3-(4-methylphenyl)propan-1-ol
CID 64813855
N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 99929121
N-(4-chlorophenyl)-2-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide
CID 9296915
N'-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)propanediamide
CID 95130640
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
CID 108953119

Frequently Asked Questions

What is the IUPAC name of N'-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-N-(4-methylphenyl)propanediamide?
The IUPAC name of N'-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-N-(4-methylphenyl)propanediamide (CID 95128017) is N'-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-N-(4-methylphenyl)propanediamide.
What is the SMILES notation for N'-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-N-(4-methylphenyl)propanediamide?
The canonical SMILES for N'-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-N-(4-methylphenyl)propanediamide is Cc1ccc(NC(=O)CC(=O)N[C@@H](CCO)c2ccc(C)cc2)cc1.
What is the InChIKey of N'-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-N-(4-methylphenyl)propanediamide?
The InChIKey is PRQJLOLQXHZJLG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-3-7-16(8-4-14)18(11-12-23)22-20(25)13-19(24)21-17-9-5-15(2)6-10-17/h3-10,18,23H,11-13H2,1-2H3,(H,21,24)(H,22,25)/t18-/m0/s1.
What are the key properties of N'-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-N-(4-methylphenyl)propanediamide?
N'-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-N-(4-methylphenyl)propanediamide has a molecular weight of 340.42 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-N-(4-methylphenyl)propanediamide is sourced from PubChem (CID 95128017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).