2-naphthalen-1-yl-N-[(4-phenyloxan-4-yl)methyl]acetamide

C24H25NO2 — CID 1082217

IUPAC2-naphthalen-1-yl-N-[(4-phenyloxan-4-yl)methyl]acetamide
SMILESO=C(Cc1cccc2ccccc12)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C24H25NO2/c26-23(17-20-9-6-8-19-7-4-5-12-22(19)20)25-18-24(13-15-27-16-14-24)21-10-2-1-3-11-21/h1-12H,13-18H2,(H,25,26)
InChIKeyQHLXAKBMQWDKAI-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.25
Rot. Bonds5

About 2-naphthalen-1-yl-N-[(4-phenyloxan-4-yl)methyl]acetamide

2-naphthalen-1-yl-N-[(4-phenyloxan-4-yl)methyl]acetamide (PubChem CID 1082217) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[(4-phenyloxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-[(4-phenyloxan-4-yl)methyl]acetamide
PubChem CID1082217
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name2-naphthalen-1-yl-N-[(4-phenyloxan-4-yl)methyl]acetamide
SMILESO=C(Cc1cccc2ccccc12)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C24H25NO2/c26-23(17-20-9-6-8-19-7-4-5-12-22(19)20)25-18-24(13-15-27-16-14-24)21-10-2-1-3-11-21/h1-12H,13-18H2,(H,25,26)
InChIKeyQHLXAKBMQWDKAI-UHFFFAOYSA-N
XLogP4.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-[(4-phenyloxan-4-yl)methyl]acetamide (CID 1082217) is 2-naphthalen-1-yl-N-[(4-phenyloxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-[(4-phenyloxan-4-yl)methyl]acetamide is O=C(Cc1cccc2ccccc12)NCC1(c2ccccc2)CCOCC1.
What is the InChIKey of 2-naphthalen-1-yl-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The InChIKey is QHLXAKBMQWDKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c26-23(17-20-9-6-8-19-7-4-5-12-22(19)20)25-18-24(13-15-27-16-14-24)21-10-2-1-3-11-21/h1-12H,13-18H2,(H,25,26).
What are the key properties of 2-naphthalen-1-yl-N-[(4-phenyloxan-4-yl)methyl]acetamide?
2-naphthalen-1-yl-N-[(4-phenyloxan-4-yl)methyl]acetamide has a molecular weight of 359.47 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-[(4-phenyloxan-4-yl)methyl]acetamide is sourced from PubChem (CID 1082217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).