4-[(dimethylamino)methyl]-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

C15H29N3O2 — CID 87053397

IUPAC4-[(dimethylamino)methyl]-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCCCNC(=O)N1CC(CN(C)C)C2(CCOCC2)C1
InChIInChI=1S/C15H29N3O2/c1-4-7-16-14(19)18-11-13(10-17(2)3)15(12-18)5-8-20-9-6-15/h13H,4-12H2,1-3H3,(H,16,19)
InChIKeySYYBMTFXWLFDOB-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.40
Rot. Bonds4

About 4-[(dimethylamino)methyl]-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

4-[(dimethylamino)methyl]-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 87053397) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID87053397
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name4-[(dimethylamino)methyl]-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCCCNC(=O)N1CC(CN(C)C)C2(CCOCC2)C1
InChIInChI=1S/C15H29N3O2/c1-4-7-16-14(19)18-11-13(10-17(2)3)15(12-18)5-8-20-9-6-15/h13H,4-12H2,1-3H3,(H,16,19)
InChIKeySYYBMTFXWLFDOB-UHFFFAOYSA-N
XLogP1.40
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of 4-[(dimethylamino)methyl]-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 87053397) is 4-[(dimethylamino)methyl]-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is CCCNC(=O)N1CC(CN(C)C)C2(CCOCC2)C1.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is SYYBMTFXWLFDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-4-7-16-14(19)18-11-13(10-17(2)3)15(12-18)5-8-20-9-6-15/h13H,4-12H2,1-3H3,(H,16,19).
What are the key properties of 4-[(dimethylamino)methyl]-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
4-[(dimethylamino)methyl]-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 87053397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).