N-[2-[1-(4-chlorophenyl)cyclopentyl]ethyl]-N-(2,2-dimethyloxan-4-yl)propanamide

C23H34ClNO2 — CID 42654844

IUPACN-[2-[1-(4-chlorophenyl)cyclopentyl]ethyl]-N-(2,2-dimethyloxan-4-yl)propanamide
SMILESCCC(=O)N(CCC1(c2ccc(Cl)cc2)CCCC1)C1CCOC(C)(C)C1
InChIInChI=1S/C23H34ClNO2/c1-4-21(26)25(20-11-16-27-22(2,3)17-20)15-14-23(12-5-6-13-23)18-7-9-19(24)10-8-18/h7-10,20H,4-6,11-17H2,1-3H3
InChIKeyZPJNFGGEFYWPGO-UHFFFAOYSA-N
MW391.98 g/mol
LogP5.74
Rot. Bonds6

About N-[2-[1-(4-chlorophenyl)cyclopentyl]ethyl]-N-(2,2-dimethyloxan-4-yl)propanamide

N-[2-[1-(4-chlorophenyl)cyclopentyl]ethyl]-N-(2,2-dimethyloxan-4-yl)propanamide (PubChem CID 42654844) has the molecular formula C23H34ClNO2 and a molecular weight of 391.98 g/mol. Its IUPAC name is N-[2-[1-(4-chlorophenyl)cyclopentyl]ethyl]-N-(2,2-dimethyloxan-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-[1-(4-chlorophenyl)cyclopentyl]ethyl]-N-(2,2-dimethyloxan-4-yl)propanamide
PubChem CID42654844
Molecular FormulaC23H34ClNO2
Molecular Weight391.98 g/mol
Exact Mass391.23
IUPAC NameN-[2-[1-(4-chlorophenyl)cyclopentyl]ethyl]-N-(2,2-dimethyloxan-4-yl)propanamide
SMILESCCC(=O)N(CCC1(c2ccc(Cl)cc2)CCCC1)C1CCOC(C)(C)C1
InChIInChI=1S/C23H34ClNO2/c1-4-21(26)25(20-11-16-27-22(2,3)17-20)15-14-23(12-5-6-13-23)18-7-9-19(24)10-8-18/h7-10,20H,4-6,11-17H2,1-3H3
InChIKeyZPJNFGGEFYWPGO-UHFFFAOYSA-N
XLogP5.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.98
LogP ≤ 55.74
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
3-(4-chlorophenyl)-1-[(4S)-2,2-dimethyloxan-4-yl]-1-ethylurea
CID 97444759
N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]propanamide
CID 7079370
2-[1-(4-chlorophenyl)cyclopentyl]-N,N-diethylacetamide
CID 139928433
2-chloro-N-(2,2-dimethyloxan-4-yl)-N-[(3-ethylphenyl)methyl]acetamide
CID 166418440
2-[(2,2-dimethyloxan-4-yl)-methylamino]acetic acid
CID 65056592
N-[(3R)-3-cyclopropyl-3-phenylbutyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide
CID 39309555
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-one
CID 13083375
2,2-dimethyl-N-[2-(1-phenylcyclohexyl)ethyl]oxan-4-amine
CID 42654800
1-(4-chlorophenyl)-3-(2,2-dimethyloxan-4-yl)propane-1,3-dione
CID 123222998
3-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpropan-1-amine
CID 57115633
N-(2,2-dimethyloxan-4-yl)-N-ethyl-4-(propylsulfamoyl)benzamide
CID 135119424

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-chlorophenyl)cyclopentyl]ethyl]-N-(2,2-dimethyloxan-4-yl)propanamide?
The IUPAC name of N-[2-[1-(4-chlorophenyl)cyclopentyl]ethyl]-N-(2,2-dimethyloxan-4-yl)propanamide (CID 42654844) is N-[2-[1-(4-chlorophenyl)cyclopentyl]ethyl]-N-(2,2-dimethyloxan-4-yl)propanamide.
What is the SMILES notation for N-[2-[1-(4-chlorophenyl)cyclopentyl]ethyl]-N-(2,2-dimethyloxan-4-yl)propanamide?
The canonical SMILES for N-[2-[1-(4-chlorophenyl)cyclopentyl]ethyl]-N-(2,2-dimethyloxan-4-yl)propanamide is CCC(=O)N(CCC1(c2ccc(Cl)cc2)CCCC1)C1CCOC(C)(C)C1.
What is the InChIKey of N-[2-[1-(4-chlorophenyl)cyclopentyl]ethyl]-N-(2,2-dimethyloxan-4-yl)propanamide?
The InChIKey is ZPJNFGGEFYWPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34ClNO2/c1-4-21(26)25(20-11-16-27-22(2,3)17-20)15-14-23(12-5-6-13-23)18-7-9-19(24)10-8-18/h7-10,20H,4-6,11-17H2,1-3H3.
What are the key properties of N-[2-[1-(4-chlorophenyl)cyclopentyl]ethyl]-N-(2,2-dimethyloxan-4-yl)propanamide?
N-[2-[1-(4-chlorophenyl)cyclopentyl]ethyl]-N-(2,2-dimethyloxan-4-yl)propanamide has a molecular weight of 391.98 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-chlorophenyl)cyclopentyl]ethyl]-N-(2,2-dimethyloxan-4-yl)propanamide is sourced from PubChem (CID 42654844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).