N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(4-methylphenyl)propanamide

C22H29NO3 — CID 139000342

IUPACN-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CC(C)C(=O)NCC(O)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C22H29NO3/c1-15(2)26-20-11-9-19(10-12-20)21(24)14-23-22(25)17(4)13-18-7-5-16(3)6-8-18/h5-12,15,17,21,24H,13-14H2,1-4H3,(H,23,25)
InChIKeyQMDCYODWHJIHJN-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.81
Rot. Bonds8

About N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(4-methylphenyl)propanamide

N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(4-methylphenyl)propanamide (PubChem CID 139000342) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(4-methylphenyl)propanamide
PubChem CID139000342
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC NameN-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CC(C)C(=O)NCC(O)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C22H29NO3/c1-15(2)26-20-11-9-19(10-12-20)21(24)14-23-22(25)17(4)13-18-7-5-16(3)6-8-18/h5-12,15,17,21,24H,13-14H2,1-4H3,(H,23,25)
InChIKeyQMDCYODWHJIHJN-UHFFFAOYSA-N
XLogP3.81
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 119328695
(2R)-2-amino-N-[2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
CID 119293211
2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride
CID 119328681
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-(4-methylphenyl)propanamide
CID 110007680
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-thiophen-2-ylpropanamide
CID 111437274
N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-(2-methylpropyl)benzamide
CID 86981673
1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 111422863
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide
CID 111424743
2-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
CID 82314145
2-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 61087614
1-[4-(difluoromethoxy)phenyl]-2-(4-methylphenyl)ethanol
CID 63017905
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 111450791

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(4-methylphenyl)propanamide (CID 139000342) is N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(4-methylphenyl)propanamide is Cc1ccc(CC(C)C(=O)NCC(O)c2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(4-methylphenyl)propanamide?
The InChIKey is QMDCYODWHJIHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-15(2)26-20-11-9-19(10-12-20)21(24)14-23-22(25)17(4)13-18-7-5-16(3)6-8-18/h5-12,15,17,21,24H,13-14H2,1-4H3,(H,23,25).
What are the key properties of N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(4-methylphenyl)propanamide?
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(4-methylphenyl)propanamide has a molecular weight of 355.48 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 139000342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).