N-[(2R)-butan-2-yl]-3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecane-9-carboxamide

C17H29N3O2 — CID 97121210

IUPACN-[(2R)-butan-2-yl]-3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESC=CCN1CC2(CCC1=O)CCN(C(=O)N[C@H](C)CC)CC2
InChIInChI=1S/C17H29N3O2/c1-4-10-20-13-17(7-6-15(20)21)8-11-19(12-9-17)16(22)18-14(3)5-2/h4,14H,1,5-13H2,2-3H3,(H,18,22)/t14-/m1/s1
InChIKeyJDOBKZUPDRMQNO-CQSZACIVSA-N
MW307.44 g/mol
LogP2.39
Rot. Bonds4

About N-[(2R)-butan-2-yl]-3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecane-9-carboxamide

N-[(2R)-butan-2-yl]-3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecane-9-carboxamide (PubChem CID 97121210) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecane-9-carboxamide
PubChem CID97121210
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC NameN-[(2R)-butan-2-yl]-3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESC=CCN1CC2(CCC1=O)CCN(C(=O)N[C@H](C)CC)CC2
InChIInChI=1S/C17H29N3O2/c1-4-10-20-13-17(7-6-15(20)21)8-11-19(12-9-17)16(22)18-14(3)5-2/h4,14H,1,5-13H2,2-3H3,(H,18,22)/t14-/m1/s1
InChIKeyJDOBKZUPDRMQNO-CQSZACIVSA-N
XLogP2.39
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-3-oxo-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 72931172
9-[(2S)-3-[ethyl(methyl)amino]-2-methylpropanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97112399
9-butan-2-ylsulfonyl-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72890711
9-[(3R)-4-amino-3-hydroxybutanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97113768
2-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-phenylethyl)acetamide
CID 70734421
9-(5-acetylthiophene-3-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72918054
9-(3-methylsulfanylbutyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72939168
2-(2-hydroxypropyl)-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72926553
N-butan-2-ylpyrrolidine-1-carboxamide
CID 17217776
3-oxo-N-propyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 72877044
2-cyclopropyl-3-oxo-N-[(1R)-1-phenylpropyl]-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 70710449
N-(3-chloro-4-methylphenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 70755232

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecane-9-carboxamide (CID 97121210) is N-[(2R)-butan-2-yl]-3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecane-9-carboxamide is C=CCN1CC2(CCC1=O)CCN(C(=O)N[C@H](C)CC)CC2.
What is the InChIKey of N-[(2R)-butan-2-yl]-3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is JDOBKZUPDRMQNO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-4-10-20-13-17(7-6-15(20)21)8-11-19(12-9-17)16(22)18-14(3)5-2/h4,14H,1,5-13H2,2-3H3,(H,18,22)/t14-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecane-9-carboxamide?
N-[(2R)-butan-2-yl]-3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 97121210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).