N-[(1R)-1-(3-chlorophenyl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

C17H23ClN2O3 — CID 94081987

IUPACN-[(1R)-1-(3-chlorophenyl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCC[C@@H](NC(=O)N1CCC2(CC1)OCCO2)c1cccc(Cl)c1
InChIInChI=1S/C17H23ClN2O3/c1-2-15(13-4-3-5-14(18)12-13)19-16(21)20-8-6-17(7-9-20)22-10-11-23-17/h3-5,12,15H,2,6-11H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyKAWGLYPUWJIPKH-OAHLLOKOSA-N
MW338.83 g/mol
LogP3.34
Rot. Bonds3

About N-[(1R)-1-(3-chlorophenyl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

N-[(1R)-1-(3-chlorophenyl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 94081987) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.83 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-chlorophenyl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID94081987
Molecular FormulaC17H23ClN2O3
Molecular Weight338.83 g/mol
Exact Mass338.14
IUPAC NameN-[(1R)-1-(3-chlorophenyl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCC[C@@H](NC(=O)N1CCC2(CC1)OCCO2)c1cccc(Cl)c1
InChIInChI=1S/C17H23ClN2O3/c1-2-15(13-4-3-5-14(18)12-13)19-16(21)20-8-6-17(7-9-20)22-10-11-23-17/h3-5,12,15H,2,6-11H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyKAWGLYPUWJIPKH-OAHLLOKOSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108988776
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 119049218
3-(3-chlorophenyl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one
CID 42774836
N-[1-(2-chlorophenyl)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 110675417
2-(1-aminocyclopentyl)-N-[1-(3-chlorophenyl)propyl]acetamide
CID 64683806
N-[1-(3-chlorophenyl)propyl]furan-3-carboxamide
CID 75871852
N-[2-(3-propan-2-ylphenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 112972396
(Z)-N-[1-(3-chlorophenyl)propyl]-2-methylpent-2-enamide
CID 60553202
N-propan-2-yl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 47236079
N-[1-(3-chlorophenyl)propyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55632155
N-[1-(3-chlorophenyl)propyl]morpholine-2-carboxamide;hydrochloride
CID 119716523
1-[1-(3-chlorophenyl)propyl]-3-(2-hydroxyethyl)urea
CID 110894209

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[(1R)-1-(3-chlorophenyl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (CID 94081987) is N-[(1R)-1-(3-chlorophenyl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is CC[C@@H](NC(=O)N1CCC2(CC1)OCCO2)c1cccc(Cl)c1.
What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is KAWGLYPUWJIPKH-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-2-15(13-4-3-5-14(18)12-13)19-16(21)20-8-6-17(7-9-20)22-10-11-23-17/h3-5,12,15H,2,6-11H2,1H3,(H,19,21)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(3-chlorophenyl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
N-[(1R)-1-(3-chlorophenyl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 338.83 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-chlorophenyl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 94081987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).