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

C21H31N3O2 — CID 118570199

IUPACN-cyclopropyl-N-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
SMILESCN(C(=O)N1CCOC2(CCN(CCc3ccccc3)CC2)C1)C1CC1
InChIInChI=1S/C21H31N3O2/c1-22(19-7-8-19)20(25)24-15-16-26-21(17-24)10-13-23(14-11-21)12-9-18-5-3-2-4-6-18/h2-6,19H,7-17H2,1H3
InChIKeyVPPKXSBSYPYBLB-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.61
Rot. Bonds4

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

N-cyclopropyl-N-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide (PubChem CID 118570199) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
PubChem CID118570199
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-cyclopropyl-N-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
SMILESCN(C(=O)N1CCOC2(CCN(CCc3ccccc3)CC2)C1)C1CC1
InChIInChI=1S/C21H31N3O2/c1-22(19-7-8-19)20(25)24-15-16-26-21(17-24)10-13-23(14-11-21)12-9-18-5-3-2-4-6-18/h2-6,19H,7-17H2,1H3
InChIKeyVPPKXSBSYPYBLB-UHFFFAOYSA-N
XLogP2.61
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[(4R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 125026764
(3-methoxyphenyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 118562293
[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-2-yl)methanone
CID 118562197
1,3-dimethyl-1-[1-(2-phenylethyl)piperidin-4-yl]urea
CID 91557912
4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 118562539
N-[3-[2-(4-benzoyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]methanesulfonamide
CID 118562470
2-hydroxy-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 154663471
9-(2-phenylethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 57186218
(2R)-N,N,2-trimethyl-4-(2-phenylethyl)morpholine-2-carboxamide
CID 95839205
N-(2-fluoroethyl)-N-methyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 155878318
9-(1-cyclopropyl-2-phenylethyl)-N-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 118562468
N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 165365115

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide (CID 118570199) is N-cyclopropyl-N-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide is CN(C(=O)N1CCOC2(CCN(CCc3ccccc3)CC2)C1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The InChIKey is VPPKXSBSYPYBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-22(19-7-8-19)20(25)24-15-16-26-21(17-24)10-13-23(14-11-21)12-9-18-5-3-2-4-6-18/h2-6,19H,7-17H2,1H3.
What are the key properties of N-cyclopropyl-N-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
N-cyclopropyl-N-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide is sourced from PubChem (CID 118570199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).