N-[2-[2-[hydroxy(diphenyl)methyl]-4-methoxyphenyl]ethyl]-2,2-dimethylpropanamide

C27H31NO3 — CID 102494111

IUPACN-[2-[2-[hydroxy(diphenyl)methyl]-4-methoxyphenyl]ethyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(CCNC(=O)C(C)(C)C)c(C(O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C27H31NO3/c1-26(2,3)25(29)28-18-17-20-15-16-23(31-4)19-24(20)27(30,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-16,19,30H,17-18H2,1-4H3,(H,28,29)
InChIKeyCLQBGJZJKRBCSA-UHFFFAOYSA-N
MW417.55 g/mol
LogP4.68
Rot. Bonds7

About N-[2-[2-[hydroxy(diphenyl)methyl]-4-methoxyphenyl]ethyl]-2,2-dimethylpropanamide

N-[2-[2-[hydroxy(diphenyl)methyl]-4-methoxyphenyl]ethyl]-2,2-dimethylpropanamide (PubChem CID 102494111) has the molecular formula C27H31NO3 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-[2-[2-[hydroxy(diphenyl)methyl]-4-methoxyphenyl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[2-[hydroxy(diphenyl)methyl]-4-methoxyphenyl]ethyl]-2,2-dimethylpropanamide
PubChem CID102494111
Molecular FormulaC27H31NO3
Molecular Weight417.55 g/mol
Exact Mass417.23
IUPAC NameN-[2-[2-[hydroxy(diphenyl)methyl]-4-methoxyphenyl]ethyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(CCNC(=O)C(C)(C)C)c(C(O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C27H31NO3/c1-26(2,3)25(29)28-18-17-20-15-16-23(31-4)19-24(20)27(30,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-16,19,30H,17-18H2,1-4H3,(H,28,29)
InChIKeyCLQBGJZJKRBCSA-UHFFFAOYSA-N
XLogP4.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 15179102
2-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpropanamide
CID 120587952
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905
2,2,2-tris(4-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 44563474
[5-methoxy-2-(methoxymethoxy)phenyl]-diphenylmethanol
CID 142656877
N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963881
N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 94421928
2-(2,4-dimethoxyphenyl)-2-hydroxy-2-phenylacetic acid
CID 139609897
2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid
CID 115171143
N-[(2-formyl-4-methoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 14713110
bis(2,4-dimethoxyphenyl)-phenylmethanol
CID 10833633
N-[2-(2,5-dimethoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 22742653

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[hydroxy(diphenyl)methyl]-4-methoxyphenyl]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[2-[hydroxy(diphenyl)methyl]-4-methoxyphenyl]ethyl]-2,2-dimethylpropanamide (CID 102494111) is N-[2-[2-[hydroxy(diphenyl)methyl]-4-methoxyphenyl]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[2-[hydroxy(diphenyl)methyl]-4-methoxyphenyl]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[2-[hydroxy(diphenyl)methyl]-4-methoxyphenyl]ethyl]-2,2-dimethylpropanamide is COc1ccc(CCNC(=O)C(C)(C)C)c(C(O)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-[2-[2-[hydroxy(diphenyl)methyl]-4-methoxyphenyl]ethyl]-2,2-dimethylpropanamide?
The InChIKey is CLQBGJZJKRBCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO3/c1-26(2,3)25(29)28-18-17-20-15-16-23(31-4)19-24(20)27(30,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-16,19,30H,17-18H2,1-4H3,(H,28,29).
What are the key properties of N-[2-[2-[hydroxy(diphenyl)methyl]-4-methoxyphenyl]ethyl]-2,2-dimethylpropanamide?
N-[2-[2-[hydroxy(diphenyl)methyl]-4-methoxyphenyl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 417.55 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[hydroxy(diphenyl)methyl]-4-methoxyphenyl]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 102494111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).