N-(3-hydroxy-2,2-dimethylpropyl)-2-(4-methylanilino)-2-phenylpropanamide

C21H28N2O2 — CID 50974721

IUPACN-(3-hydroxy-2,2-dimethylpropyl)-2-(4-methylanilino)-2-phenylpropanamide
SMILESCc1ccc(NC(C)(C(=O)NCC(C)(C)CO)c2ccccc2)cc1
InChIInChI=1S/C21H28N2O2/c1-16-10-12-18(13-11-16)23-21(4,17-8-6-5-7-9-17)19(25)22-14-20(2,3)15-24/h5-13,23-24H,14-15H2,1-4H3,(H,22,25)
InChIKeyQEXYRCPQSGSLEA-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.46
Rot. Bonds7

About N-(3-hydroxy-2,2-dimethylpropyl)-2-(4-methylanilino)-2-phenylpropanamide

N-(3-hydroxy-2,2-dimethylpropyl)-2-(4-methylanilino)-2-phenylpropanamide (PubChem CID 50974721) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylpropyl)-2-(4-methylanilino)-2-phenylpropanamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylpropyl)-2-(4-methylanilino)-2-phenylpropanamide
PubChem CID50974721
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-(3-hydroxy-2,2-dimethylpropyl)-2-(4-methylanilino)-2-phenylpropanamide
SMILESCc1ccc(NC(C)(C(=O)NCC(C)(C)CO)c2ccccc2)cc1
InChIInChI=1S/C21H28N2O2/c1-16-10-12-18(13-11-16)23-21(4,17-8-6-5-7-9-17)19(25)22-14-20(2,3)15-24/h5-13,23-24H,14-15H2,1-4H3,(H,22,25)
InChIKeyQEXYRCPQSGSLEA-UHFFFAOYSA-N
XLogP3.46
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(3-hydroxy-2,2-dimethylpropyl)-2-(4-methylanilino)-2-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(4-methylanilino)-2-phenylpropanoate
CID 60990669
2-anilino-2-(4-methylphenyl)propanoic acid
CID 60992300
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-methylanilino)-2-phenylpropanamide
CID 50984930
4-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid
CID 115358232
2-(4-fluoroanilino)-2-(4-methylphenyl)propanoic acid
CID 60991842
(2S)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide
CID 95122747
3-methoxy-2-(4-methylanilino)-2-phenylpropanoic acid
CID 103464838
N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide
CID 110663962
(2R)-N-methyl-2-(4-methylanilino)-N-[(1-methylimidazol-2-yl)methyl]-2-phenylpropanamide
CID 94601600
sodium 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-phenylpropanoate
CID 58999949
methyl 2-(4-fluoroanilino)-2-(4-methylphenyl)propanoate
CID 60992217
2-hydroxy-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide
CID 115179031

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-2-(4-methylanilino)-2-phenylpropanamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-2-(4-methylanilino)-2-phenylpropanamide (CID 50974721) is N-(3-hydroxy-2,2-dimethylpropyl)-2-(4-methylanilino)-2-phenylpropanamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylpropyl)-2-(4-methylanilino)-2-phenylpropanamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylpropyl)-2-(4-methylanilino)-2-phenylpropanamide is Cc1ccc(NC(C)(C(=O)NCC(C)(C)CO)c2ccccc2)cc1.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylpropyl)-2-(4-methylanilino)-2-phenylpropanamide?
The InChIKey is QEXYRCPQSGSLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-16-10-12-18(13-11-16)23-21(4,17-8-6-5-7-9-17)19(25)22-14-20(2,3)15-24/h5-13,23-24H,14-15H2,1-4H3,(H,22,25).
What are the key properties of N-(3-hydroxy-2,2-dimethylpropyl)-2-(4-methylanilino)-2-phenylpropanamide?
N-(3-hydroxy-2,2-dimethylpropyl)-2-(4-methylanilino)-2-phenylpropanamide has a molecular weight of 340.47 g/mol, XLogP of 3.46, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylpropyl)-2-(4-methylanilino)-2-phenylpropanamide is sourced from PubChem (CID 50974721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).