N-[(4S)-2,2-dimethyloxan-4-yl]-N-[2-[1-(4-fluorophenyl)cyclohexyl]ethyl]acetamide

C23H34FNO2 — CID 39313759

IUPACN-[(4S)-2,2-dimethyloxan-4-yl]-N-[2-[1-(4-fluorophenyl)cyclohexyl]ethyl]acetamide
SMILESCC(=O)N(CCC1(c2ccc(F)cc2)CCCCC1)[C@H]1CCOC(C)(C)C1
InChIInChI=1S/C23H34FNO2/c1-18(26)25(21-11-16-27-22(2,3)17-21)15-14-23(12-5-4-6-13-23)19-7-9-20(24)10-8-19/h7-10,21H,4-6,11-17H2,1-3H3/t21-/m0/s1
InChIKeyNXVQQHIAKJXEPO-NRFANRHFSA-N
MW375.53 g/mol
LogP5.22
Rot. Bonds5

About N-[(4S)-2,2-dimethyloxan-4-yl]-N-[2-[1-(4-fluorophenyl)cyclohexyl]ethyl]acetamide

N-[(4S)-2,2-dimethyloxan-4-yl]-N-[2-[1-(4-fluorophenyl)cyclohexyl]ethyl]acetamide (PubChem CID 39313759) has the molecular formula C23H34FNO2 and a molecular weight of 375.53 g/mol. Its IUPAC name is N-[(4S)-2,2-dimethyloxan-4-yl]-N-[2-[1-(4-fluorophenyl)cyclohexyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(4S)-2,2-dimethyloxan-4-yl]-N-[2-[1-(4-fluorophenyl)cyclohexyl]ethyl]acetamide
PubChem CID39313759
Molecular FormulaC23H34FNO2
Molecular Weight375.53 g/mol
Exact Mass375.26
IUPAC NameN-[(4S)-2,2-dimethyloxan-4-yl]-N-[2-[1-(4-fluorophenyl)cyclohexyl]ethyl]acetamide
SMILESCC(=O)N(CCC1(c2ccc(F)cc2)CCCCC1)[C@H]1CCOC(C)(C)C1
InChIInChI=1S/C23H34FNO2/c1-18(26)25(21-11-16-27-22(2,3)17-21)15-14-23(12-5-4-6-13-23)19-7-9-20(24)10-8-19/h7-10,21H,4-6,11-17H2,1-3H3/t21-/m0/s1
InChIKeyNXVQQHIAKJXEPO-NRFANRHFSA-N
XLogP5.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.53
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[1-(4-chlorophenyl)cyclopentyl]ethyl]-N-(2,2-dimethyloxan-4-yl)propanamide
CID 42654844
N-[2-(1-benzylcyclopentyl)ethyl]-N-(2,2-dimethyloxan-4-yl)acetamide
CID 42654291
N-[(3R)-3-cyclopropyl-3-phenylbutyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide
CID 39309555
N-[2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]ethyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide
CID 97423865
2,2-dimethyl-N-[2-(1-phenylcyclohexyl)ethyl]oxan-4-amine
CID 42654800
1-(2,2-dimethyloxan-4-yl)-1-ethyl-3-(4-fluoro-2-methylphenyl)urea
CID 74234341
(4R)-N-[2-[1-[(4-fluorophenyl)methyl]cyclohexyl]ethyl]-2,2-dimethyloxan-4-amine
CID 39313117
1-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)urea
CID 3688648
1-[1-(4-fluorophenyl)cyclohexyl]-N,N-dimethylmethanamine
CID 53324333
2-[(2,2-dimethyloxan-4-yl)-methylamino]acetic acid
CID 65056592
N-[(4R)-2,2-dimethyloxan-4-yl]-N-[(3S)-3-methyl-4-phenyl-3-thiophen-2-ylbutyl]acetamide
CID 39340865
3-(4-chlorophenyl)-1-[(4S)-2,2-dimethyloxan-4-yl]-1-ethylurea
CID 97444759

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2,2-dimethyloxan-4-yl]-N-[2-[1-(4-fluorophenyl)cyclohexyl]ethyl]acetamide?
The IUPAC name of N-[(4S)-2,2-dimethyloxan-4-yl]-N-[2-[1-(4-fluorophenyl)cyclohexyl]ethyl]acetamide (CID 39313759) is N-[(4S)-2,2-dimethyloxan-4-yl]-N-[2-[1-(4-fluorophenyl)cyclohexyl]ethyl]acetamide.
What is the SMILES notation for N-[(4S)-2,2-dimethyloxan-4-yl]-N-[2-[1-(4-fluorophenyl)cyclohexyl]ethyl]acetamide?
The canonical SMILES for N-[(4S)-2,2-dimethyloxan-4-yl]-N-[2-[1-(4-fluorophenyl)cyclohexyl]ethyl]acetamide is CC(=O)N(CCC1(c2ccc(F)cc2)CCCCC1)[C@H]1CCOC(C)(C)C1.
What is the InChIKey of N-[(4S)-2,2-dimethyloxan-4-yl]-N-[2-[1-(4-fluorophenyl)cyclohexyl]ethyl]acetamide?
The InChIKey is NXVQQHIAKJXEPO-NRFANRHFSA-N. The full InChI is InChI=1S/C23H34FNO2/c1-18(26)25(21-11-16-27-22(2,3)17-21)15-14-23(12-5-4-6-13-23)19-7-9-20(24)10-8-19/h7-10,21H,4-6,11-17H2,1-3H3/t21-/m0/s1.
What are the key properties of N-[(4S)-2,2-dimethyloxan-4-yl]-N-[2-[1-(4-fluorophenyl)cyclohexyl]ethyl]acetamide?
N-[(4S)-2,2-dimethyloxan-4-yl]-N-[2-[1-(4-fluorophenyl)cyclohexyl]ethyl]acetamide has a molecular weight of 375.53 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-2,2-dimethyloxan-4-yl]-N-[2-[1-(4-fluorophenyl)cyclohexyl]ethyl]acetamide is sourced from PubChem (CID 39313759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).