2-hydroxy-2-methyl-3-(4-methylphenyl)-N-naphthalen-2-ylpropanamide

C21H21NO2 — CID 170552919

IUPAC2-hydroxy-2-methyl-3-(4-methylphenyl)-N-naphthalen-2-ylpropanamide
SMILESCc1ccc(CC(C)(O)C(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H21NO2/c1-15-7-9-16(10-8-15)14-21(2,24)20(23)22-19-12-11-17-5-3-4-6-18(17)13-19/h3-13,24H,14H2,1-2H3,(H,22,23)
InChIKeyCMHZXZZHZFQPIX-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.08
Rot. Bonds4

About 2-hydroxy-2-methyl-3-(4-methylphenyl)-N-naphthalen-2-ylpropanamide

2-hydroxy-2-methyl-3-(4-methylphenyl)-N-naphthalen-2-ylpropanamide (PubChem CID 170552919) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(4-methylphenyl)-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(4-methylphenyl)-N-naphthalen-2-ylpropanamide
PubChem CID170552919
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name2-hydroxy-2-methyl-3-(4-methylphenyl)-N-naphthalen-2-ylpropanamide
SMILESCc1ccc(CC(C)(O)C(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H21NO2/c1-15-7-9-16(10-8-15)14-21(2,24)20(23)22-19-12-11-17-5-3-4-6-18(17)13-19/h3-13,24H,14H2,1-2H3,(H,22,23)
InChIKeyCMHZXZZHZFQPIX-UHFFFAOYSA-N
XLogP4.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-hydroxy-2-methyl-N-(4-methylbenzene-5-id-1-yl)-3-(4-methylphenyl)propanamide;yttrium
CID 58930733
N-anthracen-2-yl-2,2-dimethylpropanamide
CID 19044653
N-(4-methylphenyl)-2-naphthalen-2-ylacetamide
CID 9411639
2,2-dimethyl-N-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 31761155
2-methyl-2-(methylamino)-N-(6-methylnaphthalen-2-yl)propanamide
CID 115165612
2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide
CID 23596876
(2S)-2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide
CID 58594527
2-hydroxy-2-methyl-N-(4-methylphenyl)-4-pyridin-2-ylbutanamide
CID 58860970
1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea
CID 108884834
4-ethyl-N-naphthalen-2-ylbenzamide
CID 5108081
(2R)-2-(4-methylphenoxy)-N-naphthalen-2-ylpropanamide
CID 837371
(2S)-2-hydroxy-N-(4-iodo-3-methylphenyl)-2-methyl-3-(4-methylphenoxy)propanamide
CID 58592438

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(4-methylphenyl)-N-naphthalen-2-ylpropanamide?
The IUPAC name of 2-hydroxy-2-methyl-3-(4-methylphenyl)-N-naphthalen-2-ylpropanamide (CID 170552919) is 2-hydroxy-2-methyl-3-(4-methylphenyl)-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(4-methylphenyl)-N-naphthalen-2-ylpropanamide?
The canonical SMILES for 2-hydroxy-2-methyl-3-(4-methylphenyl)-N-naphthalen-2-ylpropanamide is Cc1ccc(CC(C)(O)C(=O)Nc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-hydroxy-2-methyl-3-(4-methylphenyl)-N-naphthalen-2-ylpropanamide?
The InChIKey is CMHZXZZHZFQPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-15-7-9-16(10-8-15)14-21(2,24)20(23)22-19-12-11-17-5-3-4-6-18(17)13-19/h3-13,24H,14H2,1-2H3,(H,22,23).
What are the key properties of 2-hydroxy-2-methyl-3-(4-methylphenyl)-N-naphthalen-2-ylpropanamide?
2-hydroxy-2-methyl-3-(4-methylphenyl)-N-naphthalen-2-ylpropanamide has a molecular weight of 319.40 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-(4-methylphenyl)-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 170552919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).