9-(1-cyclopropyl-2-phenylethyl)-N-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide

C21H31N3O2 — CID 118562468

IUPAC9-(1-cyclopropyl-2-phenylethyl)-N-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
SMILESCNC(=O)N1CCOC2(CCN(C(Cc3ccccc3)C3CC3)CC2)C1
InChIInChI=1S/C21H31N3O2/c1-22-20(25)24-13-14-26-21(16-24)9-11-23(12-10-21)19(18-7-8-18)15-17-5-3-2-4-6-17/h2-6,18-19H,7-16H2,1H3,(H,22,25)
InChIKeyKUZPLEAEOQQRJL-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.51
Rot. Bonds4

About 9-(1-cyclopropyl-2-phenylethyl)-N-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide

9-(1-cyclopropyl-2-phenylethyl)-N-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide (PubChem CID 118562468) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 9-(1-cyclopropyl-2-phenylethyl)-N-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide.

Molecular Properties

Compound Name9-(1-cyclopropyl-2-phenylethyl)-N-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
PubChem CID118562468
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name9-(1-cyclopropyl-2-phenylethyl)-N-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
SMILESCNC(=O)N1CCOC2(CCN(C(Cc3ccccc3)C3CC3)CC2)C1
InChIInChI=1S/C21H31N3O2/c1-22-20(25)24-13-14-26-21(16-24)9-11-23(12-10-21)19(18-7-8-18)15-17-5-3-2-4-6-17/h2-6,18-19H,7-16H2,1H3,(H,22,25)
InChIKeyKUZPLEAEOQQRJL-UHFFFAOYSA-N
XLogP2.51
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(1-cyclopropyl-2-phenylethyl)-N-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The IUPAC name of 9-(1-cyclopropyl-2-phenylethyl)-N-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide (CID 118562468) is 9-(1-cyclopropyl-2-phenylethyl)-N-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide.
What is the SMILES notation for 9-(1-cyclopropyl-2-phenylethyl)-N-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The canonical SMILES for 9-(1-cyclopropyl-2-phenylethyl)-N-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide is CNC(=O)N1CCOC2(CCN(C(Cc3ccccc3)C3CC3)CC2)C1.
What is the InChIKey of 9-(1-cyclopropyl-2-phenylethyl)-N-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The InChIKey is KUZPLEAEOQQRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-22-20(25)24-13-14-26-21(16-24)9-11-23(12-10-21)19(18-7-8-18)15-17-5-3-2-4-6-17/h2-6,18-19H,7-16H2,1H3,(H,22,25).
What are the key properties of 9-(1-cyclopropyl-2-phenylethyl)-N-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
9-(1-cyclopropyl-2-phenylethyl)-N-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-cyclopropyl-2-phenylethyl)-N-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide is sourced from PubChem (CID 118562468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).