(5S)-N-[3-oxo-3-(propylamino)propyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

C14H25N3O3 — CID 124594033

IUPAC(5S)-N-[3-oxo-3-(propylamino)propyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCCCNC(=O)CCNC(=O)N1CC[C@]2(CCOC2)C1
InChIInChI=1S/C14H25N3O3/c1-2-6-15-12(18)3-7-16-13(19)17-8-4-14(10-17)5-9-20-11-14/h2-11H2,1H3,(H,15,18)(H,16,19)/t14-/m0/s1
InChIKeyNOHYGBFLNLSOFZ-AWEZNQCLSA-N
MW283.37 g/mol
LogP0.72
Rot. Bonds5

About (5S)-N-[3-oxo-3-(propylamino)propyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

(5S)-N-[3-oxo-3-(propylamino)propyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 124594033) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is (5S)-N-[3-oxo-3-(propylamino)propyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound Name(5S)-N-[3-oxo-3-(propylamino)propyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
PubChem CID124594033
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name(5S)-N-[3-oxo-3-(propylamino)propyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCCCNC(=O)CCNC(=O)N1CC[C@]2(CCOC2)C1
InChIInChI=1S/C14H25N3O3/c1-2-6-15-12(18)3-7-16-13(19)17-8-4-14(10-17)5-9-20-11-14/h2-11H2,1H3,(H,15,18)(H,16,19)/t14-/m0/s1
InChIKeyNOHYGBFLNLSOFZ-AWEZNQCLSA-N
XLogP0.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-[3-oxo-3-(propylamino)propyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of (5S)-N-[3-oxo-3-(propylamino)propyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 124594033) is (5S)-N-[3-oxo-3-(propylamino)propyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for (5S)-N-[3-oxo-3-(propylamino)propyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for (5S)-N-[3-oxo-3-(propylamino)propyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is CCCNC(=O)CCNC(=O)N1CC[C@]2(CCOC2)C1.
What is the InChIKey of (5S)-N-[3-oxo-3-(propylamino)propyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The InChIKey is NOHYGBFLNLSOFZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-2-6-15-12(18)3-7-16-13(19)17-8-4-14(10-17)5-9-20-11-14/h2-11H2,1H3,(H,15,18)(H,16,19)/t14-/m0/s1.
What are the key properties of (5S)-N-[3-oxo-3-(propylamino)propyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
(5S)-N-[3-oxo-3-(propylamino)propyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[3-oxo-3-(propylamino)propyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 124594033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).