(2S)-N-(2-hydroxy-4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide

C20H25NO2 — CID 7313981

IUPAC(2S)-N-(2-hydroxy-4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)c(O)c1
InChIInChI=1S/C20H25NO2/c1-13(2)11-16-6-8-17(9-7-16)15(4)20(23)21-18-10-5-14(3)12-19(18)22/h5-10,12-13,15,22H,11H2,1-4H3,(H,21,23)/t15-/m0/s1
InChIKeyQILNOOMXJMRWDX-HNNXBMFYSA-N
MW311.43 g/mol
LogP4.64
Rot. Bonds5

About (2S)-N-(2-hydroxy-4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide

(2S)-N-(2-hydroxy-4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 7313981) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2S)-N-(2-hydroxy-4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-hydroxy-4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID7313981
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(2S)-N-(2-hydroxy-4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)c(O)c1
InChIInChI=1S/C20H25NO2/c1-13(2)11-16-6-8-17(9-7-16)15(4)20(23)21-18-10-5-14(3)12-19(18)22/h5-10,12-13,15,22H,11H2,1-4H3,(H,21,23)/t15-/m0/s1
InChIKeyQILNOOMXJMRWDX-HNNXBMFYSA-N
XLogP4.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(2,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228302
N-(2,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 4681901
(2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228330
(2S)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228329
(2S)-N-(5-chloro-2-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 837870
N-(3-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 5183452
N-(2-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 14456233
N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
(2S)-N-(2-ethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228333
(2S)-N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228270
(2R)-2-amino-N-(2-hydroxy-4-methylphenyl)propanamide
CID 127013339
(2R)-N-(3-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 675116

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-hydroxy-4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of (2S)-N-(2-hydroxy-4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide (CID 7313981) is (2S)-N-(2-hydroxy-4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for (2S)-N-(2-hydroxy-4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for (2S)-N-(2-hydroxy-4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide is Cc1ccc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)c(O)c1.
What is the InChIKey of (2S)-N-(2-hydroxy-4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is QILNOOMXJMRWDX-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-13(2)11-16-6-8-17(9-7-16)15(4)20(23)21-18-10-5-14(3)12-19(18)22/h5-10,12-13,15,22H,11H2,1-4H3,(H,21,23)/t15-/m0/s1.
What are the key properties of (2S)-N-(2-hydroxy-4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
(2S)-N-(2-hydroxy-4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 311.43 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-hydroxy-4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 7313981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).