2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-N-ethylacetamide

C22H31N3O2 — CID 97116302

IUPAC2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2
InChIInChI=1S/C22H31N3O2/c1-2-23-20(26)15-24-12-10-22(11-13-24)14-19(17-6-4-3-5-7-17)21(27)25(16-22)18-8-9-18/h3-7,18-19H,2,8-16H2,1H3,(H,23,26)/t19-/m1/s1
InChIKeyICLPWMFAQNBNAP-LJQANCHMSA-N
MW369.51 g/mol
LogP2.38
Rot. Bonds5

About 2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-N-ethylacetamide

2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-N-ethylacetamide (PubChem CID 97116302) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-N-ethylacetamide
PubChem CID97116302
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2
InChIInChI=1S/C22H31N3O2/c1-2-23-20(26)15-24-12-10-22(11-13-24)14-19(17-6-4-3-5-7-17)21(27)25(16-22)18-8-9-18/h3-7,18-19H,2,8-16H2,1H3,(H,23,26)/t19-/m1/s1
InChIKeyICLPWMFAQNBNAP-LJQANCHMSA-N
XLogP2.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-N-ethylacetamide?
The IUPAC name of 2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-N-ethylacetamide (CID 97116302) is 2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-N-ethylacetamide?
The canonical SMILES for 2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-N-ethylacetamide is CCNC(=O)CN1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2.
What is the InChIKey of 2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-N-ethylacetamide?
The InChIKey is ICLPWMFAQNBNAP-LJQANCHMSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-2-23-20(26)15-24-12-10-22(11-13-24)14-19(17-6-4-3-5-7-17)21(27)25(16-22)18-8-9-18/h3-7,18-19H,2,8-16H2,1H3,(H,23,26)/t19-/m1/s1.
What are the key properties of 2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-N-ethylacetamide?
2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-N-ethylacetamide has a molecular weight of 369.51 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-N-ethylacetamide is sourced from PubChem (CID 97116302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).