N-[(3R,4S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2,2-diphenylacetamide

C29H25NO3 — CID 10789005

IUPACN-[(3R,4S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2,2-diphenylacetamide
SMILESO=C(N[C@@H]1c2ccccc2OC[C@@H]1c1ccc(O)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H25NO3/c31-23-17-15-20(16-18-23)25-19-33-26-14-8-7-13-24(26)28(25)30-29(32)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-18,25,27-28,31H,19H2,(H,30,32)/t25-,28-/m1/s1
InChIKeyQOTCWRLMSFLHKL-LEAFIULHSA-N
MW435.52 g/mol
LogP5.56
Rot. Bonds5

About N-[(3R,4S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2,2-diphenylacetamide

N-[(3R,4S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2,2-diphenylacetamide (PubChem CID 10789005) has the molecular formula C29H25NO3 and a molecular weight of 435.52 g/mol. Its IUPAC name is N-[(3R,4S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2,2-diphenylacetamide
PubChem CID10789005
Molecular FormulaC29H25NO3
Molecular Weight435.52 g/mol
Exact Mass435.18
IUPAC NameN-[(3R,4S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2,2-diphenylacetamide
SMILESO=C(N[C@@H]1c2ccccc2OC[C@@H]1c1ccc(O)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H25NO3/c31-23-17-15-20(16-18-23)25-19-33-26-14-8-7-13-24(26)28(25)30-29(32)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-18,25,27-28,31H,19H2,(H,30,32)/t25-,28-/m1/s1
InChIKeyQOTCWRLMSFLHKL-LEAFIULHSA-N
XLogP5.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[(3R,4S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2,2-diphenylacetamide (CID 10789005) is N-[(3R,4S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(3R,4S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(3R,4S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2,2-diphenylacetamide is O=C(N[C@@H]1c2ccccc2OC[C@@H]1c1ccc(O)cc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(3R,4S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2,2-diphenylacetamide?
The InChIKey is QOTCWRLMSFLHKL-LEAFIULHSA-N. The full InChI is InChI=1S/C29H25NO3/c31-23-17-15-20(16-18-23)25-19-33-26-14-8-7-13-24(26)28(25)30-29(32)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-18,25,27-28,31H,19H2,(H,30,32)/t25-,28-/m1/s1.
What are the key properties of N-[(3R,4S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2,2-diphenylacetamide?
N-[(3R,4S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2,2-diphenylacetamide has a molecular weight of 435.52 g/mol, XLogP of 5.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 10789005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).