acetic acid;N-(1-carbamoylcyclohexyl)-6-azaspiro[2.5]octane-2-carboxamide

C17H29N3O4 — CID 154909588

IUPACacetic acid;N-(1-carbamoylcyclohexyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCC(=O)O.NC(=O)C1(NC(=O)C2CC23CCNCC3)CCCCC1
InChIInChI=1S/C15H25N3O2.C2H4O2/c16-13(20)15(4-2-1-3-5-15)18-12(19)11-10-14(11)6-8-17-9-7-14;1-2(3)4/h11,17H,1-10H2,(H2,16,20)(H,18,19);1H3,(H,3,4)
InChIKeyVOGOXIXIKLCYBN-UHFFFAOYSA-N
MW339.44 g/mol
LogP0.77
Rot. Bonds3

About acetic acid;N-(1-carbamoylcyclohexyl)-6-azaspiro[2.5]octane-2-carboxamide

acetic acid;N-(1-carbamoylcyclohexyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 154909588) has the molecular formula C17H29N3O4 and a molecular weight of 339.44 g/mol. Its IUPAC name is acetic acid;N-(1-carbamoylcyclohexyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Nameacetic acid;N-(1-carbamoylcyclohexyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID154909588
Molecular FormulaC17H29N3O4
Molecular Weight339.44 g/mol
Exact Mass339.22
IUPAC Nameacetic acid;N-(1-carbamoylcyclohexyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCC(=O)O.NC(=O)C1(NC(=O)C2CC23CCNCC3)CCCCC1
InChIInChI=1S/C15H25N3O2.C2H4O2/c16-13(20)15(4-2-1-3-5-15)18-12(19)11-10-14(11)6-8-17-9-7-14;1-2(3)4/h11,17H,1-10H2,(H2,16,20)(H,18,19);1H3,(H,3,4)
InChIKeyVOGOXIXIKLCYBN-UHFFFAOYSA-N
XLogP0.77
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of acetic acid;N-(1-carbamoylcyclohexyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of acetic acid;N-(1-carbamoylcyclohexyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 154909588) is acetic acid;N-(1-carbamoylcyclohexyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for acetic acid;N-(1-carbamoylcyclohexyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for acetic acid;N-(1-carbamoylcyclohexyl)-6-azaspiro[2.5]octane-2-carboxamide is CC(=O)O.NC(=O)C1(NC(=O)C2CC23CCNCC3)CCCCC1.
What is the InChIKey of acetic acid;N-(1-carbamoylcyclohexyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is VOGOXIXIKLCYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2.C2H4O2/c16-13(20)15(4-2-1-3-5-15)18-12(19)11-10-14(11)6-8-17-9-7-14;1-2(3)4/h11,17H,1-10H2,(H2,16,20)(H,18,19);1H3,(H,3,4).
What are the key properties of acetic acid;N-(1-carbamoylcyclohexyl)-6-azaspiro[2.5]octane-2-carboxamide?
acetic acid;N-(1-carbamoylcyclohexyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 0.77, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-(1-carbamoylcyclohexyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 154909588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).