N-[2-(3-methylphenyl)propyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide

C17H24N2O3 — CID 71868135

IUPACN-[2-(3-methylphenyl)propyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCc1cccc(C(C)CNC(=O)N2CCC3(C2)OCCO3)c1
InChIInChI=1S/C17H24N2O3/c1-13-4-3-5-15(10-13)14(2)11-18-16(20)19-7-6-17(12-19)21-8-9-22-17/h3-5,10,14H,6-9,11-12H2,1-2H3,(H,18,20)
InChIKeyPFCLVJZXIQYWIV-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.26
Rot. Bonds3

About N-[2-(3-methylphenyl)propyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide

N-[2-(3-methylphenyl)propyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 71868135) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)propyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)propyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
PubChem CID71868135
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[2-(3-methylphenyl)propyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCc1cccc(C(C)CNC(=O)N2CCC3(C2)OCCO3)c1
InChIInChI=1S/C17H24N2O3/c1-13-4-3-5-15(10-13)14(2)11-18-16(20)19-7-6-17(12-19)21-8-9-22-17/h3-5,10,14H,6-9,11-12H2,1-2H3,(H,18,20)
InChIKeyPFCLVJZXIQYWIV-UHFFFAOYSA-N
XLogP2.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)propyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of N-[2-(3-methylphenyl)propyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 71868135) is N-[2-(3-methylphenyl)propyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for N-[2-(3-methylphenyl)propyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for N-[2-(3-methylphenyl)propyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide is Cc1cccc(C(C)CNC(=O)N2CCC3(C2)OCCO3)c1.
What is the InChIKey of N-[2-(3-methylphenyl)propyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide?
The InChIKey is PFCLVJZXIQYWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13-4-3-5-15(10-13)14(2)11-18-16(20)19-7-6-17(12-19)21-8-9-22-17/h3-5,10,14H,6-9,11-12H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(3-methylphenyl)propyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide?
N-[2-(3-methylphenyl)propyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)propyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 71868135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).