N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-2-prop-2-enoyl-2,8-diazaspiro[4.5]decane-8-carboxamide

C18H30N4O3 — CID 166115726

IUPACN-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-2-prop-2-enoyl-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESC=CC(=O)N1CCC2(CCN(C(=O)N(C)[C@H](C(N)=O)C(C)C)CC2)C1
InChIInChI=1S/C18H30N4O3/c1-5-14(23)22-11-8-18(12-22)6-9-21(10-7-18)17(25)20(4)15(13(2)3)16(19)24/h5,13,15H,1,6-12H2,2-4H3,(H2,19,24)/t15-/m0/s1
InChIKeySHKHOIAMSHQJPY-HNNXBMFYSA-N
MW350.46 g/mol
LogP1.05
Rot. Bonds4

About N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-2-prop-2-enoyl-2,8-diazaspiro[4.5]decane-8-carboxamide

N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-2-prop-2-enoyl-2,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 166115726) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-2-prop-2-enoyl-2,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-2-prop-2-enoyl-2,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID166115726
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC NameN-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-2-prop-2-enoyl-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESC=CC(=O)N1CCC2(CCN(C(=O)N(C)[C@H](C(N)=O)C(C)C)CC2)C1
InChIInChI=1S/C18H30N4O3/c1-5-14(23)22-11-8-18(12-22)6-9-21(10-7-18)17(25)20(4)15(13(2)3)16(19)24/h5,13,15H,1,6-12H2,2-4H3,(H2,19,24)/t15-/m0/s1
InChIKeySHKHOIAMSHQJPY-HNNXBMFYSA-N
XLogP1.05
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.05
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

2-Methyl-8-(3-methylbutanoyl)-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 42823944
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-2-[(E)-4-fluorobut-2-enoyl]-N-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 174289989
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
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 166115783
N-(1-amino-3-methyl-1-oxobutan-2-yl)-N,2-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxamide;buta-1,3-diene;ethane
CID 166115816
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
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-3-[methyl(prop-2-enoyl)amino]pyrrolidine-1-carboxamide
CID 167202048
(2S)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N,2-dimethyl-4-prop-2-enoylpiperazine-1-carboxamide
CID 167202198
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-4-[[methyl(prop-2-enoyl)amino]methyl]piperidine-1-carboxamide
CID 167202214
(4S)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N,4-dimethyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 167202306
lithium;N,1-dimethyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]-3-prop-2-enoyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide;hydroxide
CID 168090314
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N,1-dimethyl-3-prop-2-enoyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 168983141

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-2-prop-2-enoyl-2,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 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) is N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-2-prop-2-enoyl-2,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-2-prop-2-enoyl-2,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-2-prop-2-enoyl-2,8-diazaspiro[4.5]decane-8-carboxamide is C=CC(=O)N1CCC2(CCN(C(=O)N(C)[C@H](C(N)=O)C(C)C)CC2)C1.
What is the InChIKey of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-2-prop-2-enoyl-2,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is SHKHOIAMSHQJPY-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-5-14(23)22-11-8-18(12-22)6-9-21(10-7-18)17(25)20(4)15(13(2)3)16(19)24/h5,13,15H,1,6-12H2,2-4H3,(H2,19,24)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-2-prop-2-enoyl-2,8-diazaspiro[4.5]decane-8-carboxamide?
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-2-prop-2-enoyl-2,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 1.05, 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-2-prop-2-enoyl-2,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 166115726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).