N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-9-prop-2-enoyl-2,9-diazaspiro[5.5]undecane-2-carboxamide

C19H32N4O3 — CID 162762912

IUPACN-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-9-prop-2-enoyl-2,9-diazaspiro[5.5]undecane-2-carboxamide
SMILESC=CC(=O)N1CCC2(CCCN(C(=O)N(C)[C@H](C(N)=O)C(C)C)C2)CC1
InChIInChI=1S/C19H32N4O3/c1-5-15(24)22-11-8-19(9-12-22)7-6-10-23(13-19)18(26)21(4)16(14(2)3)17(20)25/h5,14,16H,1,6-13H2,2-4H3,(H2,20,25)/t16-/m0/s1
InChIKeyFWIXCLQAICLBCG-INIZCTEOSA-N
MW364.49 g/mol
LogP1.44
Rot. Bonds4

About N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-9-prop-2-enoyl-2,9-diazaspiro[5.5]undecane-2-carboxamide

N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-9-prop-2-enoyl-2,9-diazaspiro[5.5]undecane-2-carboxamide (PubChem CID 162762912) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-9-prop-2-enoyl-2,9-diazaspiro[5.5]undecane-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-9-prop-2-enoyl-2,9-diazaspiro[5.5]undecane-2-carboxamide
PubChem CID162762912
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC NameN-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-9-prop-2-enoyl-2,9-diazaspiro[5.5]undecane-2-carboxamide
SMILESC=CC(=O)N1CCC2(CCCN(C(=O)N(C)[C@H](C(N)=O)C(C)C)C2)CC1
InChIInChI=1S/C19H32N4O3/c1-5-15(24)22-11-8-19(9-12-22)7-6-10-23(13-19)18(26)21(4)16(14(2)3)17(20)25/h5,14,16H,1,6-13H2,2-4H3,(H2,20,25)/t16-/m0/s1
InChIKeyFWIXCLQAICLBCG-INIZCTEOSA-N
XLogP1.44
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-4-prop-2-enoyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 166115839
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(2,2-difluoroethyl)-N-methyl-4-prop-2-enoyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 166144103
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(2-fluoroethyl)-N-methyl-4-prop-2-enoyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 167202222
2-(4-Tert-butylpiperidin-1-yl)acetamide;1-(4-tert-butylpiperidin-1-yl)prop-2-en-1-one;methane
CID 162012635
2-[2-[3-[2-(Ethenylamino)ethyl]-1-prop-2-enoylpiperidin-3-yl]ethyl-methylamino]-3-methylbutanamide
CID 166115244
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-2-prop-2-enoyl-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 166115726
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N,1-dimethyl-4-prop-2-enoyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 166115830
(3S,4S)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-4-[[hydroxymethyl(prop-2-enoyl)amino]methyl]-N,3-dimethylpiperidine-1-carboxamide
CID 167202038
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-4-[[methyl(prop-2-enoyl)amino]methyl]piperidine-1-carboxamide
CID 167202214
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-4-prop-2-enoyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 167202303
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-ethyl-N-methyl-4-prop-2-enoyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 168983370
N-[(2S)-1-[(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.1]heptan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]prop-2-enamide
CID 169914593

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-9-prop-2-enoyl-2,9-diazaspiro[5.5]undecane-2-carboxamide?
The IUPAC name of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-9-prop-2-enoyl-2,9-diazaspiro[5.5]undecane-2-carboxamide (CID 162762912) is N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-9-prop-2-enoyl-2,9-diazaspiro[5.5]undecane-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-9-prop-2-enoyl-2,9-diazaspiro[5.5]undecane-2-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-9-prop-2-enoyl-2,9-diazaspiro[5.5]undecane-2-carboxamide is C=CC(=O)N1CCC2(CCCN(C(=O)N(C)[C@H](C(N)=O)C(C)C)C2)CC1.
What is the InChIKey of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-9-prop-2-enoyl-2,9-diazaspiro[5.5]undecane-2-carboxamide?
The InChIKey is FWIXCLQAICLBCG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-5-15(24)22-11-8-19(9-12-22)7-6-10-23(13-19)18(26)21(4)16(14(2)3)17(20)25/h5,14,16H,1,6-13H2,2-4H3,(H2,20,25)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-9-prop-2-enoyl-2,9-diazaspiro[5.5]undecane-2-carboxamide?
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-9-prop-2-enoyl-2,9-diazaspiro[5.5]undecane-2-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-9-prop-2-enoyl-2,9-diazaspiro[5.5]undecane-2-carboxamide is sourced from PubChem (CID 162762912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).