N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2,2-diphenylacetamide

C27H25NO2 — CID 90524453

IUPACN-(3-hydroxy-3-naphthalen-1-ylpropyl)-2,2-diphenylacetamide
SMILESO=C(NCCC(O)c1cccc2ccccc12)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H25NO2/c29-25(24-17-9-15-20-10-7-8-16-23(20)24)18-19-28-27(30)26(21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-17,25-26,29H,18-19H2,(H,28,30)
InChIKeyNXUCGGBQBADXAP-UHFFFAOYSA-N
MW395.50 g/mol
LogP5.21
Rot. Bonds7

About N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2,2-diphenylacetamide

N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2,2-diphenylacetamide (PubChem CID 90524453) has the molecular formula C27H25NO2 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-naphthalen-1-ylpropyl)-2,2-diphenylacetamide
PubChem CID90524453
Molecular FormulaC27H25NO2
Molecular Weight395.50 g/mol
Exact Mass395.19
IUPAC NameN-(3-hydroxy-3-naphthalen-1-ylpropyl)-2,2-diphenylacetamide
SMILESO=C(NCCC(O)c1cccc2ccccc12)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H25NO2/c29-25(24-17-9-15-20-10-7-8-16-23(20)24)18-19-28-27(30)26(21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-17,25-26,29H,18-19H2,(H,28,30)
InChIKeyNXUCGGBQBADXAP-UHFFFAOYSA-N
XLogP5.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide
CID 90524323
N-(3-hydroxy-3-naphthalen-1-ylpropyl)butanamide
CID 90524322
1-(3-hydroxy-3-naphthalen-1-ylpropyl)-3-(2-phenylethyl)urea
CID 90524671
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methoxyacetamide
CID 71787908
N-(3-hydroxy-3-naphthalen-1-ylpropyl)cyclopropanecarboxamide
CID 71787907
N-[(3R)-3-naphthalen-1-yl-3-phenylpropyl]acetamide
CID 171616627
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 90524620
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-methylphenyl)oxamide
CID 90524589
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide
CID 71787922
N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-carboxamide
CID 90524337
3-(benzenesulfonyl)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)propanamide
CID 90524456
N-[(3S)-3-hydroxy-3-phenylpropyl]naphthalene-1-carboxamide
CID 97038566

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2,2-diphenylacetamide?
The IUPAC name of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2,2-diphenylacetamide (CID 90524453) is N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2,2-diphenylacetamide.
What is the SMILES notation for N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2,2-diphenylacetamide?
The canonical SMILES for N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2,2-diphenylacetamide is O=C(NCCC(O)c1cccc2ccccc12)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2,2-diphenylacetamide?
The InChIKey is NXUCGGBQBADXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO2/c29-25(24-17-9-15-20-10-7-8-16-23(20)24)18-19-28-27(30)26(21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-17,25-26,29H,18-19H2,(H,28,30).
What are the key properties of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2,2-diphenylacetamide?
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2,2-diphenylacetamide has a molecular weight of 395.50 g/mol, XLogP of 5.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2,2-diphenylacetamide is sourced from PubChem (CID 90524453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).