(5S)-3-methyl-2-oxo-N-phenyl-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide

C16H21N3O3 — CID 95713099

IUPAC(5S)-3-methyl-2-oxo-N-phenyl-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
SMILESCN1C[C@@]2(CCCN(C(=O)Nc3ccccc3)CC2)OC1=O
InChIInChI=1S/C16H21N3O3/c1-18-12-16(22-15(18)21)8-5-10-19(11-9-16)14(20)17-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12H2,1H3,(H,17,20)/t16-/m0/s1
InChIKeyOCJAOIZKCTXJON-INIZCTEOSA-N
MW303.36 g/mol
LogP2.53
Rot. Bonds1

About (5S)-3-methyl-2-oxo-N-phenyl-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide

(5S)-3-methyl-2-oxo-N-phenyl-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide (PubChem CID 95713099) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (5S)-3-methyl-2-oxo-N-phenyl-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide.

Molecular Properties

Compound Name(5S)-3-methyl-2-oxo-N-phenyl-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
PubChem CID95713099
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(5S)-3-methyl-2-oxo-N-phenyl-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
SMILESCN1C[C@@]2(CCCN(C(=O)Nc3ccccc3)CC2)OC1=O
InChIInChI=1S/C16H21N3O3/c1-18-12-16(22-15(18)21)8-5-10-19(11-9-16)14(20)17-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12H2,1H3,(H,17,20)/t16-/m0/s1
InChIKeyOCJAOIZKCTXJON-INIZCTEOSA-N
XLogP2.53
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-3-methyl-2-oxo-N-(2-phenoxyethyl)-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 126424841
(5R)-N-(3-ethoxyphenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 125164128
(5R)-3-methyl-2-oxo-N-(3,4,5-trifluorophenyl)-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 125168497
3-methyl-2-oxo-N-(2-thiophen-2-ylethyl)-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 119071596
3-methyl-2-oxo-N-[(2S)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 126434188
(5R)-3-methyl-N-[3-(2-methylphenyl)phenyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide
CID 125156795
N-(3-acetamido-4-fluorophenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 118773136
(5R)-3-methyl-2-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide
CID 126432480
(5S)-N-(9H-fluoren-9-yl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 126447552
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide
CID 119070099
(5S)-9-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95719735

Frequently Asked Questions

What is the IUPAC name of (5S)-3-methyl-2-oxo-N-phenyl-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?
The IUPAC name of (5S)-3-methyl-2-oxo-N-phenyl-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide (CID 95713099) is (5S)-3-methyl-2-oxo-N-phenyl-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide.
What is the SMILES notation for (5S)-3-methyl-2-oxo-N-phenyl-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?
The canonical SMILES for (5S)-3-methyl-2-oxo-N-phenyl-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide is CN1C[C@@]2(CCCN(C(=O)Nc3ccccc3)CC2)OC1=O.
What is the InChIKey of (5S)-3-methyl-2-oxo-N-phenyl-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?
The InChIKey is OCJAOIZKCTXJON-INIZCTEOSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-18-12-16(22-15(18)21)8-5-10-19(11-9-16)14(20)17-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12H2,1H3,(H,17,20)/t16-/m0/s1.
What are the key properties of (5S)-3-methyl-2-oxo-N-phenyl-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?
(5S)-3-methyl-2-oxo-N-phenyl-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-methyl-2-oxo-N-phenyl-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide is sourced from PubChem (CID 95713099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).