N-[5-[(2-hydroxy-2-phenylacetyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide

C20H24N2O3 — CID 111538465

IUPACN-[5-[(2-hydroxy-2-phenylacetyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide
SMILESCc1ccc(NC(=O)C(O)c2ccccc2)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C20H24N2O3/c1-13-10-11-15(12-16(13)22-19(25)20(2,3)4)21-18(24)17(23)14-8-6-5-7-9-14/h5-12,17,23H,1-4H3,(H,21,24)(H,22,25)
InChIKeyAOCXLFAHGNLQOU-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.65
Rot. Bonds4

About N-[5-[(2-hydroxy-2-phenylacetyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide

N-[5-[(2-hydroxy-2-phenylacetyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide (PubChem CID 111538465) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[5-[(2-hydroxy-2-phenylacetyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[(2-hydroxy-2-phenylacetyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide
PubChem CID111538465
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[5-[(2-hydroxy-2-phenylacetyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide
SMILESCc1ccc(NC(=O)C(O)c2ccccc2)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C20H24N2O3/c1-13-10-11-15(12-16(13)22-19(25)20(2,3)4)21-18(24)17(23)14-8-6-5-7-9-14/h5-12,17,23H,1-4H3,(H,21,24)(H,22,25)
InChIKeyAOCXLFAHGNLQOU-UHFFFAOYSA-N
XLogP3.65
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide
CID 119780768
(2S)-2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]-3,3-dimethylbutanamide
CID 119780776
2-hydroxy-N-(4-methylphenyl)-2-phenylacetamide
CID 3709657
(2S)-N-[4-methyl-3-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-phenylbutanamide
CID 7314167
2,2-dimethyl-N-[2-methyl-5-[[2-(methylamino)acetyl]amino]phenyl]propanamide
CID 119780770
2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]benzamide;hydrochloride
CID 119945361
4-[[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673576
1-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]cyclopropane-1-carboxamide
CID 119780748
4-[[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]carbamoylamino]butanoic acid
CID 122080070
2-hydroxy-N-(2-methyl-1,3-benzoxazol-6-yl)-2-phenylacetamide
CID 111536513
N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]-3,4,4-trimethylpentanamide
CID 86938339
N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]-2-methylpropanamide
CID 119949941

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-hydroxy-2-phenylacetyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-[(2-hydroxy-2-phenylacetyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide (CID 111538465) is N-[5-[(2-hydroxy-2-phenylacetyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[(2-hydroxy-2-phenylacetyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[(2-hydroxy-2-phenylacetyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide is Cc1ccc(NC(=O)C(O)c2ccccc2)cc1NC(=O)C(C)(C)C.
What is the InChIKey of N-[5-[(2-hydroxy-2-phenylacetyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide?
The InChIKey is AOCXLFAHGNLQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13-10-11-15(12-16(13)22-19(25)20(2,3)4)21-18(24)17(23)14-8-6-5-7-9-14/h5-12,17,23H,1-4H3,(H,21,24)(H,22,25).
What are the key properties of N-[5-[(2-hydroxy-2-phenylacetyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide?
N-[5-[(2-hydroxy-2-phenylacetyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide has a molecular weight of 340.42 g/mol, XLogP of 3.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-hydroxy-2-phenylacetyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 111538465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).