(5S)-7-(cyclohexylmethyl)-6-oxo-N-propyl-2,7-diazaspiro[4.5]decane-2-carboxamide

C19H33N3O2 — CID 42298022

IUPAC(5S)-7-(cyclohexylmethyl)-6-oxo-N-propyl-2,7-diazaspiro[4.5]decane-2-carboxamide
SMILESCCCNC(=O)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1
InChIInChI=1S/C19H33N3O2/c1-2-11-20-18(24)22-13-10-19(15-22)9-6-12-21(17(19)23)14-16-7-4-3-5-8-16/h16H,2-15H2,1H3,(H,20,24)/t19-/m0/s1
InChIKeyYNZXXUBDEFVECY-IBGZPJMESA-N
MW335.49 g/mol
LogP3.00
Rot. Bonds4

About (5S)-7-(cyclohexylmethyl)-6-oxo-N-propyl-2,7-diazaspiro[4.5]decane-2-carboxamide

(5S)-7-(cyclohexylmethyl)-6-oxo-N-propyl-2,7-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 42298022) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is (5S)-7-(cyclohexylmethyl)-6-oxo-N-propyl-2,7-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5S)-7-(cyclohexylmethyl)-6-oxo-N-propyl-2,7-diazaspiro[4.5]decane-2-carboxamide
PubChem CID42298022
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name(5S)-7-(cyclohexylmethyl)-6-oxo-N-propyl-2,7-diazaspiro[4.5]decane-2-carboxamide
SMILESCCCNC(=O)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1
InChIInChI=1S/C19H33N3O2/c1-2-11-20-18(24)22-13-10-19(15-22)9-6-12-21(17(19)23)14-16-7-4-3-5-8-16/h16H,2-15H2,1H3,(H,20,24)/t19-/m0/s1
InChIKeyYNZXXUBDEFVECY-IBGZPJMESA-N
XLogP3.00
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-(cyclohexylmethyl)-6-oxo-N-propyl-2,7-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5S)-7-(cyclohexylmethyl)-6-oxo-N-propyl-2,7-diazaspiro[4.5]decane-2-carboxamide (CID 42298022) is (5S)-7-(cyclohexylmethyl)-6-oxo-N-propyl-2,7-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5S)-7-(cyclohexylmethyl)-6-oxo-N-propyl-2,7-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5S)-7-(cyclohexylmethyl)-6-oxo-N-propyl-2,7-diazaspiro[4.5]decane-2-carboxamide is CCCNC(=O)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1.
What is the InChIKey of (5S)-7-(cyclohexylmethyl)-6-oxo-N-propyl-2,7-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is YNZXXUBDEFVECY-IBGZPJMESA-N. The full InChI is InChI=1S/C19H33N3O2/c1-2-11-20-18(24)22-13-10-19(15-22)9-6-12-21(17(19)23)14-16-7-4-3-5-8-16/h16H,2-15H2,1H3,(H,20,24)/t19-/m0/s1.
What are the key properties of (5S)-7-(cyclohexylmethyl)-6-oxo-N-propyl-2,7-diazaspiro[4.5]decane-2-carboxamide?
(5S)-7-(cyclohexylmethyl)-6-oxo-N-propyl-2,7-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 335.49 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(cyclohexylmethyl)-6-oxo-N-propyl-2,7-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 42298022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).