N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-7-prop-2-enoyl-1,7-diazaspiro[3.5]nonane-1-carboxamide

C17H28N4O3 — CID 168983560

IUPACN-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-7-prop-2-enoyl-1,7-diazaspiro[3.5]nonane-1-carboxamide
SMILESC=CC(=O)N1CCC2(CC1)CCN2C(=O)N(C)[C@H](C(N)=O)C(C)C
InChIInChI=1S/C17H28N4O3/c1-5-13(22)20-9-6-17(7-10-20)8-11-21(17)16(24)19(4)14(12(2)3)15(18)23/h5,12,14H,1,6-11H2,2-4H3,(H2,18,23)/t14-/m0/s1
InChIKeyTZOUHLGUVBCZBZ-AWEZNQCLSA-N
MW336.44 g/mol
LogP0.80
Rot. Bonds4

About N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-7-prop-2-enoyl-1,7-diazaspiro[3.5]nonane-1-carboxamide

N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-7-prop-2-enoyl-1,7-diazaspiro[3.5]nonane-1-carboxamide (PubChem CID 168983560) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-7-prop-2-enoyl-1,7-diazaspiro[3.5]nonane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-7-prop-2-enoyl-1,7-diazaspiro[3.5]nonane-1-carboxamide
PubChem CID168983560
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-7-prop-2-enoyl-1,7-diazaspiro[3.5]nonane-1-carboxamide
SMILESC=CC(=O)N1CCC2(CC1)CCN2C(=O)N(C)[C@H](C(N)=O)C(C)C
InChIInChI=1S/C17H28N4O3/c1-5-13(22)20-9-6-17(7-10-20)8-11-21(17)16(24)19(4)14(12(2)3)15(18)23/h5,12,14H,1,6-11H2,2-4H3,(H2,18,23)/t14-/m0/s1
InChIKeyTZOUHLGUVBCZBZ-AWEZNQCLSA-N
XLogP0.80
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-7-prop-2-enoyl-1,7-diazaspiro[3.5]nonane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-7-prop-2-enoyl-1,7-diazaspiro[3.5]nonane-1-carboxamide?
The IUPAC name of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-7-prop-2-enoyl-1,7-diazaspiro[3.5]nonane-1-carboxamide (CID 168983560) is N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-7-prop-2-enoyl-1,7-diazaspiro[3.5]nonane-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-7-prop-2-enoyl-1,7-diazaspiro[3.5]nonane-1-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-7-prop-2-enoyl-1,7-diazaspiro[3.5]nonane-1-carboxamide is C=CC(=O)N1CCC2(CC1)CCN2C(=O)N(C)[C@H](C(N)=O)C(C)C.
What is the InChIKey of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-7-prop-2-enoyl-1,7-diazaspiro[3.5]nonane-1-carboxamide?
The InChIKey is TZOUHLGUVBCZBZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-5-13(22)20-9-6-17(7-10-20)8-11-21(17)16(24)19(4)14(12(2)3)15(18)23/h5,12,14H,1,6-11H2,2-4H3,(H2,18,23)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-7-prop-2-enoyl-1,7-diazaspiro[3.5]nonane-1-carboxamide?
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-7-prop-2-enoyl-1,7-diazaspiro[3.5]nonane-1-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 0.80, 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-7-prop-2-enoyl-1,7-diazaspiro[3.5]nonane-1-carboxamide is sourced from PubChem (CID 168983560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).