N-[1-(2-chlorophenyl)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

C17H23ClN2O3 — CID 110675417

IUPACN-[1-(2-chlorophenyl)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCC(Cc1ccccc1Cl)NC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C17H23ClN2O3/c1-13(12-14-4-2-3-5-15(14)18)19-16(21)20-8-6-17(7-9-20)22-10-11-23-17/h2-5,13H,6-12H2,1H3,(H,19,21)
InChIKeyUNOPKHIEVCWFOZ-UHFFFAOYSA-N
MW338.83 g/mol
LogP2.82
Rot. Bonds3

About N-[1-(2-chlorophenyl)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

N-[1-(2-chlorophenyl)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 110675417) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.83 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID110675417
Molecular FormulaC17H23ClN2O3
Molecular Weight338.83 g/mol
Exact Mass338.14
IUPAC NameN-[1-(2-chlorophenyl)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCC(Cc1ccccc1Cl)NC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C17H23ClN2O3/c1-13(12-14-4-2-3-5-15(14)18)19-16(21)20-8-6-17(7-9-20)22-10-11-23-17/h2-5,13H,6-12H2,1H3,(H,19,21)
InChIKeyUNOPKHIEVCWFOZ-UHFFFAOYSA-N
XLogP2.82
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.83
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[1-(2-chlorophenyl)propan-2-yl]piperazine-1-carboxamide
CID 110675407
N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 110675397
N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpiperidine-1-carboxamide
CID 110675399
ethyl 4-[1-(2-chlorophenyl)propan-2-ylcarbamoyl]piperazine-1-carboxylate
CID 110675422
N-[(2-chlorophenyl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 3851823
N-[1-(2-chlorophenyl)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 110675424
N-(1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108988776
N-propan-2-yl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 47236079
N-(3-chloro-2-methylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 17388082
N-[(1R)-1-(3-chlorophenyl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 94081987
2-(butan-2-ylamino)-N-[1-(2-chlorophenyl)propan-2-yl]acetamide
CID 60853929
4-[2-(2-chlorophenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 47079935

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (CID 110675417) is N-[1-(2-chlorophenyl)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is CC(Cc1ccccc1Cl)NC(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of N-[1-(2-chlorophenyl)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is UNOPKHIEVCWFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-13(12-14-4-2-3-5-15(14)18)19-16(21)20-8-6-17(7-9-20)22-10-11-23-17/h2-5,13H,6-12H2,1H3,(H,19,21).
What are the key properties of N-[1-(2-chlorophenyl)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
N-[1-(2-chlorophenyl)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 338.83 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 110675417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).