2-(dimethylamino)propan-2-yl 1-(4-chlorophenyl)cyclopentane-1-carboxylate

C17H24ClNO2 — CID 138454500

IUPAC2-(dimethylamino)propan-2-yl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
SMILESCN(C)C(C)(C)OC(=O)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C17H24ClNO2/c1-16(2,19(3)4)21-15(20)17(11-5-6-12-17)13-7-9-14(18)10-8-13/h7-10H,5-6,11-12H2,1-4H3
InChIKeyBVDINWOMZXHUHZ-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.99
Rot. Bonds4

About 2-(dimethylamino)propan-2-yl 1-(4-chlorophenyl)cyclopentane-1-carboxylate

2-(dimethylamino)propan-2-yl 1-(4-chlorophenyl)cyclopentane-1-carboxylate (PubChem CID 138454500) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-(dimethylamino)propan-2-yl 1-(4-chlorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)propan-2-yl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
PubChem CID138454500
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name2-(dimethylamino)propan-2-yl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
SMILESCN(C)C(C)(C)OC(=O)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C17H24ClNO2/c1-16(2,19(3)4)21-15(20)17(11-5-6-12-17)13-7-9-14(18)10-8-13/h7-10H,5-6,11-12H2,1-4H3
InChIKeyBVDINWOMZXHUHZ-UHFFFAOYSA-N
XLogP3.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

bis[1-(4-chlorophenyl)cyclohexyl]methanone
CID 139779969
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 9290804
ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 14774392
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 4239981
[2-(ethylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2566919
tert-butyl N-[1-(4-chlorophenyl)cyclobutyl]-N-methylcarbamate
CID 91308995
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2358022
[2-(methylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2566951
2-pyrrolidin-1-ylethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 138454525
methyl 2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]oxymethyl]furan-3-carboxylate
CID 31524530
1-(4-chlorophenyl)-N-ethylcyclohexane-1-carboxamide
CID 118534759
1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide
CID 56509989

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)propan-2-yl 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of 2-(dimethylamino)propan-2-yl 1-(4-chlorophenyl)cyclopentane-1-carboxylate (CID 138454500) is 2-(dimethylamino)propan-2-yl 1-(4-chlorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for 2-(dimethylamino)propan-2-yl 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for 2-(dimethylamino)propan-2-yl 1-(4-chlorophenyl)cyclopentane-1-carboxylate is CN(C)C(C)(C)OC(=O)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 2-(dimethylamino)propan-2-yl 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The InChIKey is BVDINWOMZXHUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-16(2,19(3)4)21-15(20)17(11-5-6-12-17)13-7-9-14(18)10-8-13/h7-10H,5-6,11-12H2,1-4H3.
What are the key properties of 2-(dimethylamino)propan-2-yl 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
2-(dimethylamino)propan-2-yl 1-(4-chlorophenyl)cyclopentane-1-carboxylate has a molecular weight of 309.84 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)propan-2-yl 1-(4-chlorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 138454500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).