N-(4-naphthalen-1-yloxybut-2-ynyl)-3,3-diphenylpropanamide

C29H25NO2 — CID 121131597

IUPACN-(4-naphthalen-1-yloxybut-2-ynyl)-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCC#CCOc1cccc2ccccc12
InChIInChI=1S/C29H25NO2/c31-29(22-27(24-12-3-1-4-13-24)25-14-5-2-6-15-25)30-20-9-10-21-32-28-19-11-17-23-16-7-8-18-26(23)28/h1-8,11-19,27H,20-22H2,(H,30,31)
InChIKeyIEOBHGLQFOBBKK-UHFFFAOYSA-N
MW419.52 g/mol
LogP5.56
Rot. Bonds7

About N-(4-naphthalen-1-yloxybut-2-ynyl)-3,3-diphenylpropanamide

N-(4-naphthalen-1-yloxybut-2-ynyl)-3,3-diphenylpropanamide (PubChem CID 121131597) has the molecular formula C29H25NO2 and a molecular weight of 419.52 g/mol. Its IUPAC name is N-(4-naphthalen-1-yloxybut-2-ynyl)-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-(4-naphthalen-1-yloxybut-2-ynyl)-3,3-diphenylpropanamide
PubChem CID121131597
Molecular FormulaC29H25NO2
Molecular Weight419.52 g/mol
Exact Mass419.19
IUPAC NameN-(4-naphthalen-1-yloxybut-2-ynyl)-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCC#CCOc1cccc2ccccc12
InChIInChI=1S/C29H25NO2/c31-29(22-27(24-12-3-1-4-13-24)25-14-5-2-6-15-25)30-20-9-10-21-32-28-19-11-17-23-16-7-8-18-26(23)28/h1-8,11-19,27H,20-22H2,(H,30,31)
InChIKeyIEOBHGLQFOBBKK-UHFFFAOYSA-N
XLogP5.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.52
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-chlorophenoxy)but-2-ynyl]-3,3-diphenylpropanamide
CID 90574890
3-chloro-N-(4-naphthalen-1-yloxybut-2-ynyl)propanamide
CID 90578056
N-(4-naphthalen-1-yloxybut-2-ynyl)benzamide
CID 90578060
4-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide
CID 90578167
N-[4-(3-acetamidophenoxy)but-2-ynyl]-3,3-diphenylpropanamide
CID 90577336
2-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
CID 90578185
2-(4-chlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
CID 90578113
2-(3-methoxyphenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
CID 90578119
N-(4-naphthalen-1-yloxybut-2-ynyl)cyclopentanecarboxamide
CID 90578043
N-(4-naphthalen-1-yloxybut-2-ynyl)cyclobutanecarboxamide
CID 90578198
2-(2,4-dichlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
CID 90578114
4-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide
CID 90578226

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-yloxybut-2-ynyl)-3,3-diphenylpropanamide?
The IUPAC name of N-(4-naphthalen-1-yloxybut-2-ynyl)-3,3-diphenylpropanamide (CID 121131597) is N-(4-naphthalen-1-yloxybut-2-ynyl)-3,3-diphenylpropanamide.
What is the SMILES notation for N-(4-naphthalen-1-yloxybut-2-ynyl)-3,3-diphenylpropanamide?
The canonical SMILES for N-(4-naphthalen-1-yloxybut-2-ynyl)-3,3-diphenylpropanamide is O=C(CC(c1ccccc1)c1ccccc1)NCC#CCOc1cccc2ccccc12.
What is the InChIKey of N-(4-naphthalen-1-yloxybut-2-ynyl)-3,3-diphenylpropanamide?
The InChIKey is IEOBHGLQFOBBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO2/c31-29(22-27(24-12-3-1-4-13-24)25-14-5-2-6-15-25)30-20-9-10-21-32-28-19-11-17-23-16-7-8-18-26(23)28/h1-8,11-19,27H,20-22H2,(H,30,31).
What are the key properties of N-(4-naphthalen-1-yloxybut-2-ynyl)-3,3-diphenylpropanamide?
N-(4-naphthalen-1-yloxybut-2-ynyl)-3,3-diphenylpropanamide has a molecular weight of 419.52 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-yloxybut-2-ynyl)-3,3-diphenylpropanamide is sourced from PubChem (CID 121131597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).