2-[(5S)-7-(cyclohexylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-cyclopropylacetamide

C20H33N3O2 — CID 126437131

IUPAC2-[(5S)-7-(cyclohexylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1)NC1CC1
InChIInChI=1S/C20H33N3O2/c24-18(21-17-7-8-17)14-22-12-10-20(15-22)9-4-11-23(19(20)25)13-16-5-2-1-3-6-16/h16-17H,1-15H2,(H,21,24)/t20-/m0/s1
InChIKeyPOARHKUEYYAMTG-FQEVSTJZSA-N
MW347.50 g/mol
LogP2.16
Rot. Bonds5

About 2-[(5S)-7-(cyclohexylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-cyclopropylacetamide

2-[(5S)-7-(cyclohexylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-cyclopropylacetamide (PubChem CID 126437131) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 2-[(5S)-7-(cyclohexylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(5S)-7-(cyclohexylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-cyclopropylacetamide
PubChem CID126437131
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name2-[(5S)-7-(cyclohexylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1)NC1CC1
InChIInChI=1S/C20H33N3O2/c24-18(21-17-7-8-17)14-22-12-10-20(15-22)9-4-11-23(19(20)25)13-16-5-2-1-3-6-16/h16-17H,1-15H2,(H,21,24)/t20-/m0/s1
InChIKeyPOARHKUEYYAMTG-FQEVSTJZSA-N
XLogP2.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-7-(cyclohexylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[(5S)-7-(cyclohexylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-cyclopropylacetamide (CID 126437131) is 2-[(5S)-7-(cyclohexylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(5S)-7-(cyclohexylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(5S)-7-(cyclohexylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-cyclopropylacetamide is O=C(CN1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1)NC1CC1.
What is the InChIKey of 2-[(5S)-7-(cyclohexylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-cyclopropylacetamide?
The InChIKey is POARHKUEYYAMTG-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H33N3O2/c24-18(21-17-7-8-17)14-22-12-10-20(15-22)9-4-11-23(19(20)25)13-16-5-2-1-3-6-16/h16-17H,1-15H2,(H,21,24)/t20-/m0/s1.
What are the key properties of 2-[(5S)-7-(cyclohexylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-cyclopropylacetamide?
2-[(5S)-7-(cyclohexylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-cyclopropylacetamide has a molecular weight of 347.50 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-7-(cyclohexylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 126437131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).