N-[2-(1-benzylcyclopentyl)ethyl]-N-(2,2-dimethyloxan-4-yl)acetamide

C23H35NO2 — CID 42654291

IUPACN-[2-(1-benzylcyclopentyl)ethyl]-N-(2,2-dimethyloxan-4-yl)acetamide
SMILESCC(=O)N(CCC1(Cc2ccccc2)CCCC1)C1CCOC(C)(C)C1
InChIInChI=1S/C23H35NO2/c1-19(25)24(21-11-16-26-22(2,3)18-21)15-14-23(12-7-8-13-23)17-20-9-5-4-6-10-20/h4-6,9-10,21H,7-8,11-18H2,1-3H3
InChIKeyFLBNLMFFQQEWNT-UHFFFAOYSA-N
MW357.54 g/mol
LogP4.99
Rot. Bonds6

About N-[2-(1-benzylcyclopentyl)ethyl]-N-(2,2-dimethyloxan-4-yl)acetamide

N-[2-(1-benzylcyclopentyl)ethyl]-N-(2,2-dimethyloxan-4-yl)acetamide (PubChem CID 42654291) has the molecular formula C23H35NO2 and a molecular weight of 357.54 g/mol. Its IUPAC name is N-[2-(1-benzylcyclopentyl)ethyl]-N-(2,2-dimethyloxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1-benzylcyclopentyl)ethyl]-N-(2,2-dimethyloxan-4-yl)acetamide
PubChem CID42654291
Molecular FormulaC23H35NO2
Molecular Weight357.54 g/mol
Exact Mass357.27
IUPAC NameN-[2-(1-benzylcyclopentyl)ethyl]-N-(2,2-dimethyloxan-4-yl)acetamide
SMILESCC(=O)N(CCC1(Cc2ccccc2)CCCC1)C1CCOC(C)(C)C1
InChIInChI=1S/C23H35NO2/c1-19(25)24(21-11-16-26-22(2,3)18-21)15-14-23(12-7-8-13-23)17-20-9-5-4-6-10-20/h4-6,9-10,21H,7-8,11-18H2,1-3H3
InChIKeyFLBNLMFFQQEWNT-UHFFFAOYSA-N
XLogP4.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4S)-2,2-dimethyloxan-4-yl]-N-[2-[1-(4-fluorophenyl)cyclohexyl]ethyl]acetamide
CID 39313759
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
N-[(4R)-2,2-dimethyloxan-4-yl]-N-[(3S)-3-methyl-4-phenyl-3-thiophen-2-ylbutyl]acetamide
CID 39340865
N-[2-[1-(4-chlorophenyl)cyclopentyl]ethyl]-N-(2,2-dimethyloxan-4-yl)propanamide
CID 42654844
2-[(2,2-dimethyloxan-4-yl)-methylamino]acetic acid
CID 65056592
N-benzyl-2,2-dimethyl-N-(2-phenylethyl)oxan-4-amine chloride
CID 53351142
1-[(4R)-2,2-dimethyloxan-4-yl]-2-phenylethanone
CID 915167
2-chloro-N-(2,2-dimethyloxan-4-yl)-N-[(3-ethylphenyl)methyl]acetamide
CID 166418440
N-[(4R)-2,2-dimethyloxan-4-yl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 899126
1-(2,2-dimethyloxan-4-yl)-1-phenylhydrazine
CID 13449722
N-benzyl-N-[(4R)-2,2-dimethyloxan-4-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 92614643

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylcyclopentyl)ethyl]-N-(2,2-dimethyloxan-4-yl)acetamide?
The IUPAC name of N-[2-(1-benzylcyclopentyl)ethyl]-N-(2,2-dimethyloxan-4-yl)acetamide (CID 42654291) is N-[2-(1-benzylcyclopentyl)ethyl]-N-(2,2-dimethyloxan-4-yl)acetamide.
What is the SMILES notation for N-[2-(1-benzylcyclopentyl)ethyl]-N-(2,2-dimethyloxan-4-yl)acetamide?
The canonical SMILES for N-[2-(1-benzylcyclopentyl)ethyl]-N-(2,2-dimethyloxan-4-yl)acetamide is CC(=O)N(CCC1(Cc2ccccc2)CCCC1)C1CCOC(C)(C)C1.
What is the InChIKey of N-[2-(1-benzylcyclopentyl)ethyl]-N-(2,2-dimethyloxan-4-yl)acetamide?
The InChIKey is FLBNLMFFQQEWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO2/c1-19(25)24(21-11-16-26-22(2,3)18-21)15-14-23(12-7-8-13-23)17-20-9-5-4-6-10-20/h4-6,9-10,21H,7-8,11-18H2,1-3H3.
What are the key properties of N-[2-(1-benzylcyclopentyl)ethyl]-N-(2,2-dimethyloxan-4-yl)acetamide?
N-[2-(1-benzylcyclopentyl)ethyl]-N-(2,2-dimethyloxan-4-yl)acetamide has a molecular weight of 357.54 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylcyclopentyl)ethyl]-N-(2,2-dimethyloxan-4-yl)acetamide is sourced from PubChem (CID 42654291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).