N-[2-[2-(3-fluorophenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]ethyl]acetamide

C29H32FNO3 — CID 127033579

IUPACN-[2-[2-(3-fluorophenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(OC2CCCC(OCc3ccccc3)C2)cc1-c1cccc(F)c1
InChIInChI=1S/C29H32FNO3/c1-21(32)31-16-15-23-13-14-28(19-29(23)24-9-5-10-25(30)17-24)34-27-12-6-11-26(18-27)33-20-22-7-3-2-4-8-22/h2-5,7-10,13-14,17,19,26-27H,6,11-12,15-16,18,20H2,1H3,(H,31,32)
InChIKeyNANPZRQSOKJXBG-UHFFFAOYSA-N
MW461.58 g/mol
LogP6.08
Rot. Bonds9

About N-[2-[2-(3-fluorophenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]ethyl]acetamide

N-[2-[2-(3-fluorophenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]ethyl]acetamide (PubChem CID 127033579) has the molecular formula C29H32FNO3 and a molecular weight of 461.58 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]ethyl]acetamide
PubChem CID127033579
Molecular FormulaC29H32FNO3
Molecular Weight461.58 g/mol
Exact Mass461.24
IUPAC NameN-[2-[2-(3-fluorophenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(OC2CCCC(OCc3ccccc3)C2)cc1-c1cccc(F)c1
InChIInChI=1S/C29H32FNO3/c1-21(32)31-16-15-23-13-14-28(19-29(23)24-9-5-10-25(30)17-24)34-27-12-6-11-26(18-27)33-20-22-7-3-2-4-8-22/h2-5,7-10,13-14,17,19,26-27H,6,11-12,15-16,18,20H2,1H3,(H,31,32)
InChIKeyNANPZRQSOKJXBG-UHFFFAOYSA-N
XLogP6.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.58
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]ethyl]acetamide (CID 127033579) is N-[2-[2-(3-fluorophenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]ethyl]acetamide is CC(=O)NCCc1ccc(OC2CCCC(OCc3ccccc3)C2)cc1-c1cccc(F)c1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]ethyl]acetamide?
The InChIKey is NANPZRQSOKJXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FNO3/c1-21(32)31-16-15-23-13-14-28(19-29(23)24-9-5-10-25(30)17-24)34-27-12-6-11-26(18-27)33-20-22-7-3-2-4-8-22/h2-5,7-10,13-14,17,19,26-27H,6,11-12,15-16,18,20H2,1H3,(H,31,32).
What are the key properties of N-[2-[2-(3-fluorophenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]ethyl]acetamide?
N-[2-[2-(3-fluorophenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]ethyl]acetamide has a molecular weight of 461.58 g/mol, XLogP of 6.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 127033579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).