N-[4-[[4-[(2,2-diphenylacetyl)amino]-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]-2,2-diphenylacetamide

C41H34N2O4 — CID 2832543

IUPACN-[4-[[4-[(2,2-diphenylacetyl)amino]-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]-2,2-diphenylacetamide
SMILESO=C(Nc1ccc(Cc2ccc(NC(=O)C(c3ccccc3)c3ccccc3)c(O)c2)cc1O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H34N2O4/c44-36-26-28(21-23-34(36)42-40(46)38(30-13-5-1-6-14-30)31-15-7-2-8-16-31)25-29-22-24-35(37(45)27-29)43-41(47)39(32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-24,26-27,38-39,44-45H,25H2,(H,42,46)(H,43,47)
InChIKeyUADYPWPONRIPFE-UHFFFAOYSA-N
MW618.73 g/mol
LogP8.23
Rot. Bonds10

About N-[4-[[4-[(2,2-diphenylacetyl)amino]-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]-2,2-diphenylacetamide

N-[4-[[4-[(2,2-diphenylacetyl)amino]-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]-2,2-diphenylacetamide (PubChem CID 2832543) has the molecular formula C41H34N2O4 and a molecular weight of 618.73 g/mol. Its IUPAC name is N-[4-[[4-[(2,2-diphenylacetyl)amino]-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[4-[[4-[(2,2-diphenylacetyl)amino]-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]-2,2-diphenylacetamide
PubChem CID2832543
Molecular FormulaC41H34N2O4
Molecular Weight618.73 g/mol
Exact Mass618.25
IUPAC NameN-[4-[[4-[(2,2-diphenylacetyl)amino]-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]-2,2-diphenylacetamide
SMILESO=C(Nc1ccc(Cc2ccc(NC(=O)C(c3ccccc3)c3ccccc3)c(O)c2)cc1O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H34N2O4/c44-36-26-28(21-23-34(36)42-40(46)38(30-13-5-1-6-14-30)31-15-7-2-8-16-31)25-29-22-24-35(37(45)27-29)43-41(47)39(32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-24,26-27,38-39,44-45H,25H2,(H,42,46)(H,43,47)
InChIKeyUADYPWPONRIPFE-UHFFFAOYSA-N
XLogP8.23
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.73
LogP ≤ 58.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[2-hydroxy-4-[[3-hydroxy-4-(2-methylpropanoylamino)phenyl]methyl]phenyl]-2-methylpropanamide
CID 2203693
N-[4-[[4-(cyclopropanecarbonylamino)-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]cyclopropanecarboxamide
CID 1293415
N-[2-[2-[2-[(2,2-diphenylacetyl)amino]phenyl]ethynyl]phenyl]-2,2-diphenylacetamide
CID 2247470
N-(2-bromo-4-fluorophenyl)-2,2-diphenylacetamide
CID 52653705
N-(2-bromo-4-methylphenyl)-2,2-diphenylacetamide
CID 1001609
N-(2,5-difluorophenyl)-2,2-diphenylacetamide
CID 7770336
N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 21212588
N-(2-benzoyl-4-nitrophenyl)-2,2-diphenylacetamide
CID 11026488
3,5-bis[(2,2-diphenylacetyl)amino]benzoic acid
CID 2261290
2,2-diphenyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575227
N-(2-hydroxy-4-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 16573615
methyl 3-[(2,2-diphenylacetyl)amino]-2-hydroxybenzoate
CID 108768055

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(2,2-diphenylacetyl)amino]-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]-2,2-diphenylacetamide?
The IUPAC name of N-[4-[[4-[(2,2-diphenylacetyl)amino]-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]-2,2-diphenylacetamide (CID 2832543) is N-[4-[[4-[(2,2-diphenylacetyl)amino]-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[4-[[4-[(2,2-diphenylacetyl)amino]-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[4-[[4-[(2,2-diphenylacetyl)amino]-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]-2,2-diphenylacetamide is O=C(Nc1ccc(Cc2ccc(NC(=O)C(c3ccccc3)c3ccccc3)c(O)c2)cc1O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[4-[[4-[(2,2-diphenylacetyl)amino]-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]-2,2-diphenylacetamide?
The InChIKey is UADYPWPONRIPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H34N2O4/c44-36-26-28(21-23-34(36)42-40(46)38(30-13-5-1-6-14-30)31-15-7-2-8-16-31)25-29-22-24-35(37(45)27-29)43-41(47)39(32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-24,26-27,38-39,44-45H,25H2,(H,42,46)(H,43,47).
What are the key properties of N-[4-[[4-[(2,2-diphenylacetyl)amino]-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]-2,2-diphenylacetamide?
N-[4-[[4-[(2,2-diphenylacetyl)amino]-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]-2,2-diphenylacetamide has a molecular weight of 618.73 g/mol, XLogP of 8.23, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(2,2-diphenylacetyl)amino]-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]-2,2-diphenylacetamide is sourced from PubChem (CID 2832543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).