N-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

C17H29N3O2 — CID 75378979

IUPACN-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESO=C(NCCN(CC1CC1)C1CC1)N1CCC2(CCOC2)C1
InChIInChI=1S/C17H29N3O2/c21-16(20-8-5-17(12-20)6-10-22-13-17)18-7-9-19(15-3-4-15)11-14-1-2-14/h14-15H,1-13H2,(H,18,21)
InChIKeyGJRXYGNJVSGPCA-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.68
Rot. Bonds6

About N-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

N-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 75378979) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
PubChem CID75378979
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC NameN-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESO=C(NCCN(CC1CC1)C1CC1)N1CCC2(CCOC2)C1
InChIInChI=1S/C17H29N3O2/c21-16(20-8-5-17(12-20)6-10-22-13-17)18-7-9-19(15-3-4-15)11-14-1-2-14/h14-15H,1-13H2,(H,18,21)
InChIKeyGJRXYGNJVSGPCA-UHFFFAOYSA-N
XLogP1.68
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of N-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 75378979) is N-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for N-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for N-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is O=C(NCCN(CC1CC1)C1CC1)N1CCC2(CCOC2)C1.
What is the InChIKey of N-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The InChIKey is GJRXYGNJVSGPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c21-16(20-8-5-17(12-20)6-10-22-13-17)18-7-9-19(15-3-4-15)11-14-1-2-14/h14-15H,1-13H2,(H,18,21).
What are the key properties of N-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
N-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 75378979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).